Benzoic Acid

Benzoic Acid

SCHEMBL4086034

CCCNCCC.O=C(O)c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
DAO P14920 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
CES1 P23141 5/20 0.50
CES2 O00748 4/20 0.50
SRD5A2 P31213 1/20 0.50
NAAA Q02083 1/20 0.49
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46

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.

Compoundsimilaritytop predictedshared targets
Benzoic Acid SCHEMBL5862551 0.88 NAAA (0.54) TSHRDAONAPRTDRD2DRD4
Acetophenone SCHEMBL17800889 0.86 DRD2 (0.51) DRD2DRD4DRD3CES1CES2
Benzoic Acid SCHEMBL8468675 0.85 NAAA (0.65) TSHRDAONAPRTDRD2DRD4
Benzoic Acid SCHEMBL5862959 0.85 NAAA (0.65) TSHRDAONAPRTDRD2DRD4
Benzoic Acid SCHEMBL32671576 0.85 NAAA (0.65) TSHRDAONAPRTDRD2DRD4
Benzoic Acid SCHEMBL578126 0.84 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL2762272 0.84 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL29286711 0.84 TSHR (0.74) TSHRDAONAPRTCES1CES2
Phthalic Acid SCHEMBL28090151 0.83 ALDH1A1 (0.58) TSHRNAPRTDRD2DRD4DRD3
Benzoic Acid SCHEMBL64441 0.83 TSHR (0.64) 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-06-11 US disclosed
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-08-08 US disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
EP-2491915-B1 EASILY REMOVABLE CURABLE COMPOSITION FOR DENTAL USE SUN MEDICAL CO LTD (JP) 2019-07-03 EP disclosed
US-8362105-B2 Dental curable composition and kit for such dental curable composition SUN MEDICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-2491915-A1 EASILY REMOVABLE CURABLE COMPOSITION FOR DENTAL USE SUN MEDICAL CO., LTD. (JP) 2012-08-29 EP disclosed
US-20120213832-A1 REMOVABLE DENTAL CURABLE COMPOSITION SUN MEDICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20090258966-A1 Dental Composition NIHON UNIVERSITY (JP) 2009-10-15 US disclosed
US-20090137697-A1 Dental Curable Composition and Kit for Such Dental Curable Composition SUN MEDICAL CO., LTD. (JP) 2009-05-28 US disclosed
EP-0459656-B1 Lubricant compositions ETHYL PETROLEUM ADDITIVES INC (US) 1995-09-20 EP disclosed
US-5358652-A Using 3,5-dihydrocarbyl-4-hydroxybenzylamine compound ETHYL PETROLEUM ADDITIVES, LIMITED (GB) 1994-10-25 US disclosed
EP-0428393-B1 GEAR OILS AND ADDITIVES THEREFOR ETHYL PETROLEUM ADDITIVES, INC. (US) 1993-10-06 EP disclosed
US-5241003-A Post-treated polyisobutenyl succinimide; crankcase, transmission oils ETHYL PETROLEUM ADDITIVES, INC. (US) 1993-08-31 US disclosed
EP-0531585-A1 Oil additive concentrates and lubricants of enhanced performance capabilities ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1993-03-17 EP disclosed
EP-0531000-A1 Oil additive concentrates and lubricants of enhanced performance capabilities ETHYL PETROLEUM ADDITIVES, INC. (US) 1993-03-10 EP disclosed
US-5137980-A Reacting polyisobutene with aacidic reactant; super atmospheric pressure; low tar rating ETHYL PETROLEUM ADDITIVES, INC. (US) 1992-08-11 US disclosed
EP-0459656-A1 Lubricant compositions ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-12-04 EP disclosed
EP-0430624-A1 Gear oils and additives therefor ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-06-05 EP disclosed
EP-0428393-A1 Gear oils and additives therefor ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-05-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, S100A10 TSHR 3146/4885DAO 1305/4885NAPRT 2249/4885
US-20090258966-A1 Dental Composition DCPS, MMAB, CAD TSHR 2993/4885DAO 1626/4885NAPRT 4097/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK TSHR 1850/4885DAO 1447/4885NAPRT 3856/4885
US-20120213832-A1 REMOVABLE DENTAL CURABLE COMPOSITION SMARCA5, SMARCA1, SMARCA2 TSHR 2961/4885DAO 811/4885NAPRT 2715/4885
US-20090137697-A1 Dental Curable Composition and Kit for Such Dental Curable Composition SETDB1, SETD1B, SETD2 TSHR 4302/4885DAO 218/4885NAPRT 4192/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA TSHR 3345/4885DAO 1067/4885NAPRT 2858/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 TSHR 2235/4885DAO 1613/4885NAPRT 2976/4885

“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.