Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Benzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | DAO | P14920 | 1/20 | 0.64 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.64 |
| ▸ | CES1 | P23141 | 5/20 | 0.54 |
| ▸ | CES2 | O00748 | 4/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL5918273 | 1.00 | TSHR (0.64) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL2963265 | 1.00 | TSHR (0.64) | TSHRDAONAPRTCES1CES2 | |
| Terephthalic Acid SCHEMBL11564620 | 0.91 | TSHR (0.60) | TSHRDAONAPRTSRD5A2ALDH1A1 | |
| Terephthalic Acid SCHEMBL2160594 | 0.91 | TSHR (0.60) | TSHRDAONAPRTSRD5A2ALDH1A1 | |
| Benzoic Acid SCHEMBL17594839 | 0.89 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Isophthalic Acid SCHEMBL9989646 | 0.87 | CA12 (0.52) | TSHRDAONAPRTALDH1A1TP53 | |
| Benzoic Acid SCHEMBL28693411 | 0.85 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL2400344 | 0.85 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28601772 | 0.85 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL9705228 | 0.85 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115975084-A | Catalyst component for olefin polymerization, catalyst and application | 中国石油化工股份有限公司 | 2023-04-18 | — | — | CN | claimed |
| CN-113444189-A | Catalyst for olefin polymerization and application thereof | 中国石油化工股份有限公司 | 2021-09-28 | — | — | CN | claimed |
| US-9668951-B2 | Pharmaceutical compositions comprising renewably-based biodegradable 1,3-propanediol | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2017-06-06 | — | — | US | claimed |
| US-9375390-B2 | Agricultural compositions comprising renewably-based biodegradable 1,3-propanediol | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2016-06-28 | — | — | US | claimed |
| US-20140326923-A1 | Agricultural Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2014-11-06 | — | — | US | claimed |
| US-20140328938-A1 | Pharmaceutical Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2014-11-06 | — | — | US | claimed |
| US-8598231-B2 | Flavoring agents containing bio-derived 1,3-propanediol and its conjugate esters | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2013-12-03 | — | — | US | claimed |
| US-20130210934-A1 | FLAVORING AGENTS CONTAINING BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS | DuPont Run & Lyle Bio Products Company, LLC (US) | 2013-08-15 | — | — | US | claimed |
| US-8436046-B2 | Detergent composition containing bio-derived 1,3-propanediol and its conjugate esters | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2013-05-07 | — | — | US | claimed |
| US-8309116-B2 | Personal care and cosmetics compositions comprising biologically-based mono and di esters | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2012-11-13 | — | — | US | claimed |
| EP-1991515-A2 | BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS AS NATURAL AND NON IRRITATING SOLVENTS FOR BIOMASS-DERIVED EXTRACTS FRAGRANCE CONCENTRATES, AND OILS | DuPont Tate & Lyle Bio Products Company, LLC (US) | 2008-11-19 | — | — | EP | claimed |
| WO-2008123845-A2 | COMPOSITIONS COMPRISING MONO AND DI ESTERS OF BIOLOGICALLY-BASED 1.3-PROPANEDIOL | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2008-10-16 | — | — | WO | claimed |
| US-20070213247-A1 | Detergent and liquid soap compositions comprising biologically-based mono and di esters | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC | 2007-09-13 | — | — | US | claimed |
| US-20070207939-A1 | Compositions comprising mono and di esters of biologically-based 1,3-propanediol | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC | 2007-09-06 | — | — | US | claimed |
| US-20070202126-A1 | biodegradable; improved anthropogenic carbon dioxide emission profile | BARCLAYS BANK PLC, AS COLLATERAL AGENT | 2007-08-30 | — | — | US | claimed |
| US-20070202580-A1 | Synthesis of mono and di esters from biologically-produced 1,3-propanediol | BARCLAYS BANK PLC, AS COLLATERAL AGENT | 2007-08-30 | — | — | US | claimed |
| US-20070203323-A1 | Food compositions comprising biologically-based biodegradable 1,3-propanediol esters | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC | 2007-08-30 | — | — | US | claimed |
| US-20070203276-A1 | Plasticizers comprising biologically-based mono and di esters | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC | 2007-08-30 | — | — | US | claimed |
| US-20070202073-A1 | Personal care and cosmetics compositions comprising biologically-based mono and di esters | DUPONT TATE &LYLE BIO PRODUCTS COMPANY, LLC | 2007-08-30 | — | — | US | claimed |
| WO-2007095262-A2 | BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS AS NATURAL AND NON IRRITATING SOLVENTS | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2007-08-23 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070202580-A1 | Synthesis of mono and di esters from biologically-produced 1,3-propanediol | DECR1, DECR2, HSD17B12 | TSHR 4727/4885DAO 278/4885NAPRT 2448/4885 |
| US-20070202126-A1 | biodegradable; improved anthropogenic carbon dioxide emission profile | BMP2, PGD, EBP | TSHR 4738/4885DAO 2195/4885NAPRT 4320/4885 |
| US-20140328938-A1 | Pharmaceutical Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol | PGD, PHGDH, CYP3A43 | TSHR 4172/4885DAO 4367/4885NAPRT 4284/4885 |
| US-20130210934-A1 | FLAVORING AGENTS CONTAINING BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS | ALDH1A3, ALDH1A1, ALDH18A1 | TSHR 3931/4885DAO 2390/4885NAPRT 2472/4885 |
| US-20140326923-A1 | Agricultural Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol | PGD, PHGDH, HPD | TSHR 4644/4885DAO 3180/4885NAPRT 3311/4885 |
| US-20070202073-A1 | Personal care and cosmetics compositions comprising biologically-based mono and di esters | PBDC1, CUTA, EBP | TSHR 3598/4885DAO 796/4885NAPRT 3816/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.