SCHEMBL2597463

SCHEMBL2597463

COC(=O)C1C(=O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
CYP1A2 P05177 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C19 P33261 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL3301366 0.82 CYP1A2 (0.46) BRD4CYP1A2HIF1AALDH1A1MMP2
SCHEMBL10887665 0.78 ALDH1A1 (0.52) BRD4CYP1A2HIF1AALDH1A1KMT2A
SCHEMBL16494534 0.77 BRD4 (0.44) BRD4CYP1A2HIF1AALDH1A1MMP2
SCHEMBL3214008 0.77 BRD4 (0.37) BRD4CYP1A2HIF1AALDH1A1KMT2A
SCHEMBL5400138 0.75 CHRM2 (0.45) CYP1A2ALDH1A1KMT2ACYP2C19
Methyl Alcohol SCHEMBL7022791 0.75 BRD4 (0.36) BRD4CYP1A2HIF1AALDH1A1KMT2A
SCHEMBL1521223 0.73 BRD4 (0.38) BRD4CYP1A2HIF1AALDH1A1MMP2
SCHEMBL1238701 0.73 BRD4 (0.42) BRD4CYP1A2HIF1AALDH1A1MMP2
SCHEMBL2786795 0.73 BRD4 (0.38) BRD4CYP1A2HIF1AALDH1A1MMP2
SCHEMBL3628762 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725420-B2 Processes GLAXO GROUP LIMITED (GB) 2017-08-08 US claimed
US-20160347720-A1 NOVEL PROCESSES GLAXO GROUP LIMITED (GB) 2016-12-01 US claimed
US-20250312504-A1 VOLATILE COMPOSITION DISPENSER FOR COMPOSITIONS COMPRISING A META-(C1-C4 ALKOXY) SALICYLALDEHYDE THE PROCTER & GAMBLE COMPANY 2025-10-09 US disclosed
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
US-20240199997-A1 COMPOSITIONS COMPRISING A META-(C1-C4 ALKOXY) SALICYLALDEHYDE PROCTER & GAMBLE COMPANY, THE 2024-06-20 US disclosed
EP-2571857-B1 PROCESS FOR THE PREPARATION OF PYRIMIDINONE COMPOUNDS GLAXO GROUP LTD (GB) 2017-08-23 EP disclosed
US-9725420-B2 Processes GLAXO GROUP LIMITED (GB) 2017-08-08 US disclosed
US-20160347720-A1 NOVEL PROCESSES GLAXO GROUP LIMITED (GB) 2016-12-01 US disclosed
US-9447052-B2 Processes for preparing pyrimidine compounds GLAXO GROUP LIMITED (GB) 2016-09-20 US disclosed
EP-2571857-A1 NOVEL PROCESSES Glaxo Group Limited (GB) 2013-03-27 EP disclosed
US-20130060028-A1 NOVEL PROCESSES GLAXO GROUP LIMITED (GB) 2013-03-07 US disclosed
WO-2011146494-A1 NOVEL PROCESSES GLAXO GROUP LIMITED (GB) 2011-11-24 WO 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-20130060028-A1 NOVEL PROCESSES CYP11B1, CYP27A1, CYP11B2 BRD4 1644/4885CYP1A2 217/4885HIF1A 189/4885
US-20160347720-A1 NOVEL PROCESSES CYP11B1, CYP27A1, CYP11B2 BRD4 1644/4885CYP1A2 217/4885HIF1A 189/4885

“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.