Benzoic Acid

Benzoic Acid

SCHEMBL3973448

C=CC(=O)[O-].O=C([O-])c1ccccc1.[Zn+2]

nearest known ligand 0.67

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
CA2 P00918 11/20 0.67
CA4 P22748 2/20 0.67
AKT1 P31749 1/20 0.56
ALDH1A1 P00352 2/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CA1 P00915 10/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
TGM2 P21980 1/20 0.41
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 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 SCHEMBL7188572 0.96 CA2 (0.67) CA2CA4AKT1ALDH1A1CES2
Benzoic Acid SCHEMBL7185358 0.96 CA2 (0.67) CA2CA4AKT1ALDH1A1CES2
Benzoic Acid SCHEMBL27849142 0.94 CA2 (0.59) CA2CA4AKT1ALDH1A1CES2
Benzoic Acid SCHEMBL17938264 0.87 TSHR (0.61) CA2CA4AKT1ALDH1A1CES2
Benzoic Acid SCHEMBL120679 0.86 CA2 (0.89) CA2CA4ALDH1A1CES2CES1
Benzoic Acid SCHEMBL516717 0.86 CA2 (0.89) CA2CA4AKT1ALDH1A1CES2
Benzoic Acid SCHEMBL27817276 0.84 CA2 (0.94) CA2CA4ALDH1A1CES2CES1
Benzoic Acid SCHEMBL10898907 0.84 CA2 (0.84) CA2CA4ALDH1A1CES2CES1
Benzoic Acid SCHEMBL17102796 0.84 CA2 (0.84) CA2CA4ALDH1A1CES2CES1
Benzoic Acid SCHEMBL28061734 0.84 CA2 (0.84) CA2CA4ALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442758-B2 Zinc or Copper (II) salt and use thereof as a biocide LABORATORIYA BIO ZET, LLC (RU) 2019-10-15 US disclosed
US-20160214931-A1 Zinc or Copper (II) Salt and Use Thereof as a Biocide LABORATORIYA BIO ZET, LLC (RU) 2016-07-28 US disclosed
EP-1695956-B1 CYCLIC CARBOXYLIC ACID COMPOUND AND USE THEREOF CHUGOKU MARINE PAINTS (JP) 2012-06-20 EP disclosed
US-7557148-B2 Cyclic carboxylic acid compound and use thereof CHUGOKU MARINE PAINTS, LTD. (JP) 2009-07-07 US disclosed
US-20070105976-A1 Cyclic carboxylic acid compound and use thereof CHUGOKU MARINE PLANTS, LTD. (JP) 2007-05-10 US disclosed
CN-1886360-A Novel cycloalkenycarboxylic acid and its uses CHUGOKU MARINE PAINTS (JP) 2006-12-27 CN disclosed
EP-1695956-A1 CYCLIC CARBOXYLIC ACID COMPOUND AND USE THEREOF CHUGOKU MARINE PAINTS, LTD. (JP) 2006-08-30 EP disclosed
US-6630079-B2 Bis(2- pyridinethiol-1-oxide) copper salt, does not exert any adverse influence on the storage stability or antifouling effect, and the effect of the salt does not change by the coating with an acrylic resin API CORPORATION (JP) 2003-10-07 US disclosed
EP-1080640-B1 COATED BIS(2-PYRIDINETHIOL-1-OXIDE)COPPER SALT API CORP (JP) 2003-09-10 EP disclosed
US-20030124085-A1 Coated bis (2-pyridinethiol-1-oxide) copper salt API CORPORATION (JP) 2003-07-03 US disclosed
US-6544440-B1 Antifouling active ingredient for a coating for the bottom of a ship, which is safe during handling; rosin coated; biocides API CORPORATION (JP) 2003-04-08 US disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed
EP-1080640-A1 COATED BIS(2-PYRIDINETHIOL 1-OXIDE) COPPER SALT Yoshitomi Fine Chemicals, Ltd. (JP) 2001-03-07 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 (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-10442758-B2 Zinc or Copper (II) salt and use thereof as a biocide SOD1, SOD3, AOC2 CA2 108/4885CA4 166/4885AKT1 2514/4885
US-20070105976-A1 Cyclic carboxylic acid compound and use thereof PORCN, PHOSPHO1, CA1 CA2 25/4885CA4 158/4885AKT1 2648/4885
US-20160214931-A1 Zinc or Copper (II) Salt and Use Thereof as a Biocide SOD1, SOD3, AOC2 CA2 108/4885CA4 166/4885AKT1 2514/4885

“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.