Benzoic Acid

Benzoic Acid

SCHEMBL1249516

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

nearest known ligand 0.48

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
▸ DAO P14920 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NAPRT Q6XQN6 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ GAA P10253 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ APP P05067 1/20 0.39
▸ HCAR3 P49019 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39

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 SCHEMBL28410519 1.00 DAO (0.48) DAOTSHRNAPRTALDH1A1KDM4E
Benzoic Acid SCHEMBL4657369 1.00 DAO (0.48) DAOTSHRNAPRTALDH1A1KDM4E
Benzoic Acid SCHEMBL5161411 0.98 DAO (0.47) DAOTSHRNAPRTALDH1A1KDM4E
Benzoic Acid SCHEMBL28157733 0.98 DAO (0.47) DAOTSHRNAPRTALDH1A1KDM4E
Benzoic Acid SCHEMBL1361627 0.98 DAO (0.47) DAOTSHRNAPRTALDH1A1KDM4E
Benzoic Acid SCHEMBL17687656 0.98 DAO (0.47) DAOTSHRNAPRTALDH1A1KDM4E
Benzoic Acid SCHEMBL29136455 0.98 DAO (0.47) DAOTSHRNAPRTALDH1A1KDM4E
Terephthalic Acid SCHEMBL28411701 0.93 TSHR (0.44) TSHRALDH1A1KDM4EHPGDSRD5A2
Terephthalic Acid SCHEMBL28411703 0.93 TSHR (0.44) TSHRALDH1A1KDM4EHPGDSRD5A2
SCHEMBL29090785 0.91 EGFR (0.49) ALDH1A1KDM4EHPGDNPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287613-A2 Detection, monitoring and treatment of cancer THE OPEN UNIVERSITY (GB) 2011-02-23 — — EP disclosed
EP-1601970-B1 DETECTION, MONITORING AND TREATMENT OF CANCER UNIV OPEN (GB) 2010-10-27 — — EP disclosed
EP-2209000-A2 Detection, monitoring and treatment of cancer THE OPEN UNIVERSITY (GB) 2010-07-21 — — EP disclosed
US-20070160526-A1 Detection, monitoring and treatment of cancer THE OPEN UNIVERSITY (GB) 2007-07-12 — — US disclosed
EP-1806585-A1 Detection, monitoring and treatment of cancer THE OPEN UNIVERSITY (GB) 2007-07-11 — — EP disclosed
EP-1601970-A2 DETECTION, MONITORING AND TREATMENT OF CANCER THE OPEN UNIVERSITY (GB) 2005-12-07 — — EP disclosed
WO-2004081574-A2 DETECTION, MONITORING AND TREATMENT OF CANCER THE OPEN UNIVERSITY (GB) 2004-09-23 — — 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-20070160526-A1 Detection, monitoring and treatment of cancer MUC1, CA14, LGALS4 DAO 4034/4885TSHR 809/4885NAPRT 2658/4885

“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.

Send feedback