Benzoic Acid

Benzoic Acid

SCHEMBL1833217

CC(O)NC(C)O.O=C(O)c1ccccc1

nearest known ligand 0.61

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
TSHR P16473 3/20 0.61
DAO P14920 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
CES1 P23141 4/20 0.52
CES2 O00748 3/20 0.52
SRD5A2 P31213 1/20 0.52
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 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
Terephthalic Acid SCHEMBL28778321 0.91 TSHR (0.57) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL1834003 0.87 TSHR (0.61) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL5607281 0.86 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL7865148 0.86 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL1913806 0.86 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL974018 0.84 TSHR (0.64) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28648667 0.84 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL5082990 0.84 TSHR (0.70) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28327607 0.84 TSHR (0.78) TSHRDAONAPRTCES1CES2
Paraben SCHEMBL3687962 0.83 CA2 (0.64) TSHRCES2SRD5A2TP53SMN1; SMN2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
EP-0086994-B1 KARL FISCHER REAGENT AND METHOD FOR THE DETERMINATION OF WATER USING THIS REAGENT MERCK PATENT GmbH (DE) 1987-01-07 EP claimed
US-4550083-A Karl-Fischer reagent and procedure for the determination of water using it MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-29 US claimed
US-11885782-B2 Method of determining an amount of water in a sample using a sulfonic acid HONEYWELL INTERNATIONAL INC. (US) 2024-01-30 US disclosed
EP-4237843-A1 METHOD OF DETERMINING AN AMOUNT OF WATER IN A SAMPLE USING A SULFONIC ACID HONEYWELL INTERNATIONAL INC. (US) 2023-09-06 EP disclosed
US-11714072-B2 Reagent compositions and method for Karl Fischer titration HONEYWELL INTERNATIONAL INC. (US) 2023-08-01 US disclosed
US-20220137015-A1 METHOD OF DETERMINING AN AMOUNT OF WATER IN A SAMPLE USING A SULFONIC ACID HONEYWELL INTERNATIONAL INC. (US) 2022-05-05 US disclosed
WO-2022094574-A1 METHOD OF DETERMINING AN AMOUNT OF WATER IN A SAMPLE USING A SULFONIC ACID HONEYWELL INTERNATIONAL INC. (US) 2022-05-05 WO disclosed
EP-3948263-A1 REAGENT COMPOSITIONS AND METHOD FOR KARL FISCHER TITRATION Honeywell International Inc. (US) 2022-02-09 EP disclosed
CN-113574379-A Reagent composition and method for karl fischer titration 霍尼韦尔国际公司 2021-10-29 CN disclosed
EP-3827257-A1 METHOD OF DETERMINING AN AMOUNT OF WATER IN A SAMPLE USING A DERIVATIVE OF IMIDAZOLE AND A HYDROGEN HALIDE DONOR Honeywell International Inc. (US) 2021-06-02 EP disclosed
US-7247485-B1 Karl Fischer reagent TEKNIKBROSTIFTELSEN (SE) 2007-07-24 US disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
EP-1188052-A1 KARL FISCHER REAGENT Cedergren, Anders (SE) 2002-03-20 EP disclosed
WO-2000072003-A1 KARL FISCHER REAGENT CEDERGREN ANDERS (SE) 2000-11-30 WO disclosed
US-5401662-A Adduct of amine and sulfur dioxide, iodine RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5139955-A Reactive base, sulfur dioxide, iodide, conducting salt dissolved in alcoholic solvent; membrane-free cell RIEDEL-DE HAEN AG (DE) 1992-08-18 US disclosed
US-4619900-A Solvent for the determination of water by the Karl Fischer method HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed
US-4550083-A Karl-Fischer reagent and procedure for the determination of water using it MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-29 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-11714072-B2 Reagent compositions and method for Karl Fischer titration JAK1, ADH1A, SALL4 TSHR 354/4885DAO 1039/4885NAPRT 3779/4885

“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.