Benzoic Acid

Benzoic Acid

SCHEMBL3683174

CC(C)(O)CCC(C)(C)O.O=C(O)c1ccccc1.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 3/20 0.61
DAO P14920 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
CES1 P23141 4/20 0.52
CES2 O00748 3/20 0.52
SRD5A2 P31213 2/20 0.52
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
APEX1 P27695 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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 SCHEMBL1784044 0.92 TSHR (0.56) TSHRDAONAPRTCES1CES2
Benzoyl Formic Acid SCHEMBL16047998 0.91 CES2 (0.53) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL203288 0.90 TSHR (0.54) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28688615 0.90 TSHR (0.54) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28699245 0.88 TSHR (0.47) TSHRDAONAPRTCES1CES2
Benzil SCHEMBL27781096 0.87 CES2 (0.61) CES1CES2ALDH1A1SMN1; SMN2MAPT
Benzoic Acid SCHEMBL5079308 0.87 TSHR (0.61) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL5085505 0.87 TSHR (0.61) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL16046029 0.86 TSHR (0.52) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL16046052 0.86 TSHR (0.47) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100338016-C Glycol ester compound for preparing catalyst for olefinic polymerization CHINA PETROCHEMICAL CORP (CN) 2007-09-19 CN 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
CN-1580035-A Glycol ester compound for preparing catalyst for olefinic polymerization CHINA PETROCHEMICAL CORP (CN) 2005-02-16 CN claimed
US-10954324-B2 Catalyst component for high activity and high stereoselectivity in olefin polymerization FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2021-03-23 US disclosed
EP-3486263-A2 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE W.R. Grace & CO. - CONN. (US) 2019-05-22 EP disclosed
EP-2185600-B1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE GRACE W R & CO (US) 2018-10-31 EP disclosed
US-20180066084-A1 Catalyst Component for High Activity and high Stereoselectivity in Olefin Polymerization FORMOSA PLASTICS CORPORATION, U.S.A. 2018-03-08 US disclosed
US-9815918-B2 Catalyst component for high activity and high stereoselectivity in olefin polymerization FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2017-11-14 US disclosed
US-9796796-B2 Self-limiting catalyst composition with No silane W. R. GRACE & CO.-CONN. (US) 2017-10-24 US disclosed
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 disclosed
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 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
CN-1580035-A Glycol ester compound for preparing catalyst for olefinic polymerization CHINA PETROCHEMICAL CORP (CN) 2005-02-16 CN 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
CN-1542024-A Catalyst component for alkene polyreaction and its catalyst 中国石油化工股份有限公司 2004-11-03 CN 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.