SCHEMBL3957320

SCHEMBL3957320

CCOC(=O)CCc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
TBXAS1 P24557 12/20 0.53
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
Hydrochloric Acid SCHEMBL18230734 0.98 CYP4F2 (0.54) CYP4F2CYP4A11TBXAS1ALDH1A1TDP1
Hydrochloric Acid SCHEMBL27552763 0.98 CYP4F2 (0.54) CYP4F2CYP4A11TBXAS1ALDH1A1TDP1
SCHEMBL10622938 0.91 TBXAS1 (0.57) TBXAS1ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL11062768 0.90 TBXAS1 (0.66) CYP4F2CYP4A11TBXAS1ALDH1A1TDP1
SCHEMBL5962751 0.90 TBXAS1 (0.64) CYP4F2CYP4A11TBXAS1ALDH1A1TDP1
SCHEMBL30178297 0.90 TBXAS1 (0.64) CYP4F2CYP4A11TBXAS1ALDH1A1TDP1
SCHEMBL8304942 0.89 TBXAS1 (0.54) CYP4F2CYP4A11TBXAS1
SCHEMBL5642735 0.88 ALDH1A1 (0.50) TBXAS1ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL18230749 0.88 ALDH1A1 (0.46) CYP4F2CYP4A11TBXAS1ALDH1A1TSHR
SCHEMBL12999584 0.87 POLB (0.56) ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0070185-A1 Preparation of lower alkyl 2-formyl-3-(6-methyl-3-pyridinyl)-propionates SMITHKLINE BECKMAN CORPORATION (US) 1983-01-19 EP claimed
EP-4374698-B1 PYRIDINIUM ESTERS PROCTER & GAMBLE (US) 2025-08-20 EP disclosed
US-20240217932-A1 PYRIDIUM ESTERS THE PROCTER AND GAMBLE COMPANY 2024-07-04 US disclosed
EP-4374698-A1 PYRIDINIUM ESTERS The Procter & Gamble Company (US) 2024-05-29 EP disclosed
EP-1703908-A4 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO AMGEN INC (US) 2009-07-08 EP disclosed
US-7365075-B2 Aryl sulfonamide compounds and uses related thereto AMGEN INC. (US) 2008-04-29 US disclosed
US-7365075-B2 Aryl sulfonamide compounds and uses related thereto AMGEN INC. (US) 2008-04-29 US disclosed
US-7365075-B2 Aryl sulfonamide compounds and uses related thereto AMGEN INC. (US) 2008-04-29 US disclosed
EP-1703908-A1 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO Amgen Inc. (US) 2006-09-27 EP disclosed
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto AMGEN SF, LLC (US) 2005-12-15 US disclosed
EP-0206294-A1 Alkyl esters of 3-hydroxy-3-(2-methyl-5-pyridyl)-propionic acid LONZA AG (CH) 1986-12-30 EP disclosed
US-4539207-A Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-09-03 US disclosed
US-4496567-A HSITAMINE H2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-01-29 US disclosed
EP-0013071-B1 PYRIMIDINONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-11-16 EP disclosed
US-4234588-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-11-18 US disclosed
US-4216318-A HISTAMINE HZ-ANTAGONISTS, ISOCYTOSINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-05 US disclosed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 EP disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 WO disclosed
EP-0003677-A2 Pyrimidones, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-08-22 EP disclosed
US-4154834-A HETEROCYCLIC-(THIO)ALKYLAMINO SUBSTITUTED-4-PYRIMIDONE OR -THIONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 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 (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-20240217932-A1 PYRIDIUM ESTERS C5, CBR3, CHRM1 CYP4F2 70/4885CYP4A11 65/4885TBXAS1 1042/4885
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto SULT2A1, ARSA, SULT1A1 CYP4F2 407/4885CYP4A11 51/4885TBXAS1 456/4885

“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.