Benzoic Acid

Benzoic Acid

SCHEMBL790279

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O.O=C(O)c1ccccc1.[NaH].[NaH]

nearest known ligand 0.49

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 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
PLA2G4B P0C869 7/20 0.48
RARB P10826 3/20 0.46
HTT P42858 1/20 0.46
PLA2G4A P47712 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.43
PLA2G2A P14555 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
Benzamide SCHEMBL28524523 0.89 LMNA (0.43) TSHRTP53ALDH1A1LMNARECQL
Benzoic Acid SCHEMBL10579966 0.88 TSHR (0.42) TSHRTP53ALDH1A1LMNARECQL
Hydrogen Peroxide SCHEMBL27497974 0.87 RECQL (0.54) TSHRRECQL
Aniline SCHEMBL8927846 0.87 ALDH1A1 (0.48) TSHRTP53ALDH1A1LMNARECQL
SCHEMBL8065973 0.86 RECQL (0.55) TSHRRECQL
SCHEMBL283123 0.86 RECQL (0.55) TSHRRECQL
SCHEMBL5075105 0.86 RECQL (0.55) TSHRRECQL
SCHEMBL2119563 0.86 RECQL (0.55) TSHRRECQL
SCHEMBL11044262 0.86 RECQL (0.55) TSHRRECQL
SCHEMBL544411 0.86 RECQL (0.55) TSHRRECQL

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
US-9888689-B2 Compositions containing a pyripyropene insecticide and an adjuvant BASF SE (DE) 2018-02-13 US disclosed
EP-2615919-B1 COMPOSITION CONTAINING A PYRIPYROPENE INSECTICIDE AND AN ADJUVANT BASF SE (DE) 2015-01-14 EP disclosed
US-20130190360-A1 Compositions Containing a Pyripyropene Insecticide and an Adjuvant BASF SE (DE) 2013-07-25 US disclosed
EP-2615919-A2 COMPOSITION CONTAINING A PYRIPYROPENE INSECTICIDE AND AN ADJUVANT BASF SE (DE) 2013-07-24 EP disclosed
WO-2012035015-A2 COMPOSITION CONTAINING A PYRIPYROPENE INSECTICIDE AND AN ADJUVANT BASF SE (DE) 2012-03-22 WO disclosed
US-20100087542-A1 IMPROVEMENT OF THE BIOLOGICAL ACTION OF AGROCHEMICAL COMPOSITIONS WHEN APPLIED TO THE CULTIVATION SUBSTRATE, SUITABLE FORMULATIONS AND USE THEREOF BAYER CROPSCIENCE AKTIENGESELLSHAFT (DE) 2010-04-08 US disclosed
US-20090306147-A1 BIOLOGICAL EFFICACY OF AGROCHEMICAL COMPOSITIONS ON APPLICATION IN THE GROWTH SUBSTRATE SUITABLE FORMULATIONS AND USE THEREOF BAYER CROPSCIENCE AG (DE) 2009-12-10 US 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 (3 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-20100087542-A1 IMPROVEMENT OF THE BIOLOGICAL ACTION OF AGROCHEMICAL COMPOSITIONS WHEN APPLIED TO THE CULTIVATION SUBSTRATE, SUITABLE FORMULATIONS AND USE THEREOF DDT, GAP43, DDC TSHR 4162/4885TP53 1746/4885PLA2G4B 51/4885
US-20090306147-A1 BIOLOGICAL EFFICACY OF AGROCHEMICAL COMPOSITIONS ON APPLICATION IN THE GROWTH SUBSTRATE SUITABLE FORMULATIONS AND USE THEREOF CYP51A1, CYP21A2, CYP4X1 TSHR 2653/4885TP53 3867/4885PLA2G4B 677/4885
US-20130190360-A1 Compositions Containing a Pyripyropene Insecticide and an Adjuvant DDT, PIR, ACHE TSHR 1038/4885TP53 68/4885PLA2G4B 48/4885

“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.