Benzoic Acid

Benzoic Acid

SCHEMBL472128

CCC1CC=CCC1.O=C(O)c1ccccc1

nearest known ligand 0.50

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
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 7/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
AKR1C3 P42330 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 3/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SRD5A2 P31213 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38

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 SCHEMBL472124 0.81 KDM4E (0.47) KDM4EALDH1A1POLBGAAAKR1C3
Benzoic Acid SCHEMBL472157 0.79 TSHR (0.48) KDM4EALDH1A1POLBGAAAKR1C3
SCHEMBL1524605 0.77
Benzoic Acid SCHEMBL472075 0.74 AKR1C3 (0.47) KDM4EALDH1A1POLBGAAAKR1C3
SCHEMBL11334683 0.74 ALDH1A1 (0.49) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL12567827 0.73 PARP15 (0.51) MEN1KMT2ATSHRSMN1; SMN2SRD5A2
SCHEMBL2621319 0.73 KDM4E (0.47) KDM4EALDH1A1POLBGAAAKR1C3
Benzoic Acid SCHEMBL28693411 0.71 TSHR (0.78) KDM4EALDH1A1MEN1KMT2ATSHR
Benzoic Acid SCHEMBL28601772 0.71 TSHR (0.78) KDM4EALDH1A1MEN1KMT2ATSHR
Benzoic Acid SCHEMBL9705228 0.71 TSHR (0.78) KDM4EALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664414-B2 Process for producing epoxy compound SHOWA DENKO K.K. (JP) 2014-03-04 US disclosed
US-8466303-B2 Process for production of epoxy compound SHOWA DENKO K.K. (JP) 2013-06-18 US disclosed
US-20120029217-A1 PROCESS FOR PRODUCING EPOXY COMPOUND SHOWA DENKO K.K. (JP) 2012-02-02 US disclosed
EP-2412712-A1 METHOD FOR PRODUCING EPOXY COMPOUND Showa Denko K.K. (JP) 2012-02-01 EP disclosed
US-20110009652-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND SHOWA DENKO KK (JP) 2011-01-13 US disclosed
EP-2261219-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND Showa Denko K.K. (JP) 2010-12-15 EP 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-20120029217-A1 PROCESS FOR PRODUCING EPOXY COMPOUND NOX4, NOX5, NOXO1 KDM4E 334/4885ALDH1A1 1104/4885POLB 1870/4885
US-20110009652-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND DUOX2, EPX, DUOX1 KDM4E 1593/4885ALDH1A1 680/4885POLB 326/4885

“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.