Benzoic Acid

Benzoic Acid

SCHEMBL4577010

CC(O)CC(C)O.O=C(O)c1ccccc1

nearest known ligand 0.61

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 0.61
DAO P14920 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
SRD5A2 P31213 3/20 0.52
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 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.

Compoundsimilaritytop predictedshared targets
Benzoic Acid SCHEMBL1068956 1.00 TSHR (0.61) TSHRDAONAPRTSRD5A2CES1
Benzoic Acid SCHEMBL560829 1.00 TSHR (0.61) TSHRDAONAPRTSRD5A2CES1
Benzoic Acid SCHEMBL1073214 1.00 TSHR (0.61) TSHRDAONAPRTSRD5A2CES1
Benzoyl Formic Acid SCHEMBL16046639 0.91 CES2 (0.53) TSHRDAONAPRTSRD5A2CES1
4-Chloro-Benzoic Acid SCHEMBL30395941 0.89 TSHR (0.59) TSHRDAONAPRTSRD5A2CES1
SCHEMBL570079 0.88 SRD5A2 (0.56) SRD5A2SMN1; SMN2MAPTRAB9AHPGD
Benzoic Acid SCHEMBL569215 0.88 TSHR (0.52) TSHRDAONAPRTSRD5A2CES1
Benzoic Acid SCHEMBL4326067 0.87 TSHR (0.61) TSHRDAONAPRTSRD5A2CES1
Benzoic Acid SCHEMBL1784140 0.87 TSHR (0.61) TSHRDAONAPRTSRD5A2CES1
Benzoic Acid SCHEMBL4188267 0.87 TSHR (0.61) TSHRDAONAPRTSRD5A2CES1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023552-A Catalyst and catalyst system for olefin polymerization 中国石油化工股份有限公司 2023-04-28 CN claimed
EP-1472293-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2017-04-26 EP claimed
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US claimed
EP-1472293-A4 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2008-01-16 EP claimed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US claimed
US-20050096389-A1 Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL (CN) 2005-05-05 US claimed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP claimed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO claimed
CN-116023552-A Catalyst and catalyst system for olefin polymerization 中国石油化工股份有限公司 2023-04-28 CN disclosed
CN-112661881-B Olefin polymerization catalyst component, catalyst system and olefin polymerization method 中国石油化工股份有限公司 2022-12-13 CN disclosed
CN-112661882-B Application of cyclohexene-1,2-dicarboxylic acid ester compound 中国石油化工股份有限公司 2022-10-21 CN disclosed
CN-112661883-B Solid catalyst component for preparing polyolefin, catalyst system and application thereof 中国石油化工股份有限公司 2022-10-21 CN disclosed
EP-2969201-B1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2022-05-04 EP disclosed
CN-109180843-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2022-03-01 CN disclosed
US-20050119427-A1 Catalyst component and catalyst for olefin polymerization as well as use thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-06-02 US disclosed
US-20050096389-A1 Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL (CN) 2005-05-05 US disclosed
EP-1478617-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-24 EP disclosed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed
WO-2003068723-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO 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 (1 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-20050096389-A1 Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof CBR3, CBR1, OXER1 TSHR 921/4885DAO 1971/4885NAPRT 1682/4885

“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.