Benzoic Acid

Benzoic Acid

SCHEMBL3096844

O=C(NCCO)c1ccccc1.O=C(O)c1ccccc1

nearest known ligand 0.70

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
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
POLB P06746 2/20 0.58
LMNA P02545 2/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
EPHX2 P34913 2/20 0.56
PRSS1 P07477 1/20 0.56
CTSG P08311 1/20 0.56
CTRB1 P17538 1/20 0.56
CMA1 P23946 1/20 0.56
KMT2A Q03164 1/20 0.56
RECQL P46063 1/20 0.54
NAAA Q02083 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54

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
SCHEMBL305562 0.94 GAA (0.65) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL23471096 0.92 POLB (0.58) SMN1; SMN2POLBLMNAEPHX2HDAC2
Hydrochloric Acid SCHEMBL6421806 0.92 GAA (0.63) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL1246967 0.87 LMNA (0.61) GAASMN1; SMN2POLBLMNANPC1
Thiosulfuric Acid SCHEMBL11092443 0.84 HDAC3 (0.58) GAASMN1; SMN2POLBLMNANPC1
Thiosulfuric Acid SCHEMBL11092446 0.84 HDAC3 (0.54) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL620074 0.83 POLB (0.66) POLBLMNAKMT2AHDAC4HDAC6
SCHEMBL3192014 0.83 LMNA (0.77) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL6716169 0.83 NPC1 (0.66) SMN1; SMN2POLBLMNANPC1RAB9A
SCHEMBL11251484 0.83 LMNA (0.61) GAASMN1; SMN2POLBLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895637-B2 Environment-friendly antifoulants for the prevention of biofouling UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2014-11-25 US claimed
US-20140051751-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-20 US claimed
US-8575230-B2 Environment-friendly antifoulants for the prevention of biofouling UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2013-11-05 US claimed
US-20100256256-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-10-07 US claimed
WO-2008130558-A2 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2008-10-30 WO claimed
US-8895637-B2 Environment-friendly antifoulants for the prevention of biofouling UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2014-11-25 US disclosed
US-20140051751-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-20 US disclosed
US-8575230-B2 Environment-friendly antifoulants for the prevention of biofouling UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2013-11-05 US disclosed
US-20100256256-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-10-07 US disclosed
WO-2008130558-A2 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2008-10-30 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 (2 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-20140051751-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING TRPV1, CNR2, CNR1 GAA 3879/4885SMN1; SMN2 3829/4885POLB 4672/4885
US-20100256256-A1 ENVIRONMENT-FRIENDLY ANTIFOULANTS FOR THE PREVENTION OF BIOFOULING TRPV1, CNR2, CNR1 GAA 3879/4885SMN1; SMN2 3829/4885POLB 4672/4885

“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.