Benzoic Acid

Benzoic Acid

SCHEMBL6793365

O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=c1c2ccc(Br)cc2ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.56

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 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
MTOR P42345 1/20 0.44
MDM2 Q00987 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
P2RY2 P41231 5/20 0.44
P2RY4 P51582 1/20 0.44
SLC28A1 O00337 1/20 0.43
SLC28A2 O43868 1/20 0.43
SLC29A1 Q99808 1/20 0.43
SLC28A3 Q9HAS3 1/20 0.43
MAPT P10636 1/20 0.42
CDA P32320 1/20 0.42
SLC5A2 P31639 1/20 0.41

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 SCHEMBL6792499 0.92 LMNA (0.44) LMNATHRBMTORMDM2NCOA1
Benzoic Acid SCHEMBL6799250 0.89 P2RY2 (0.55) LMNATHRBMTORMDM2NCOA1
Benzoic Acid SCHEMBL6798327 0.88 P2RY2 (0.56) LMNATHRBMTORMDM2NCOA1
Benzoic Acid SCHEMBL6797714 0.88 P2RY2 (0.56) LMNATHRBMTORMDM2NCOA1
Benzoic Acid SCHEMBL6800021 0.88 P2RY2 (0.55) LMNATHRBMTORMDM2NCOA1
Benzoic Acid SCHEMBL6793764 0.86 P2RY2 (0.59) LMNATHRBMTORMDM2NCOA1
Benzoic Acid SCHEMBL6797639 0.85 P2RY2 (0.55) LMNATHRBMTORMDM2NCOA1
Benzoic Acid SCHEMBL6796786 0.82 P2RY2 (0.56) LMNATHRBMTORMDM2NCOA1
Benzoic Acid SCHEMBL6793685 0.82 P2RY2 (0.56) LMNATHRBMTORMDM2NCOA1
Benzoic Acid SCHEMBL6799579 0.80 P2RY2 (0.59) LMNATHRBMTORMDM2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122223-A1 Non-natural nucleotides and dinucleotides CELLTECH R & D LIMITED (GB) 2004-06-24 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 (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-20040122223-A1 Non-natural nucleotides and dinucleotides P2RY1, P2RY11, P2RY13 LMNA 3439/4885THRB 1853/4885MTOR 3059/4885

“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.