SCHEMBL3933575

SCHEMBL3933575

COC(=O)c1ccc(CCCC(C)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.70
CYP4F2 P78329 1/20 0.68
LOXL2 Q9Y4K0 1/20 0.56
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
CKS1B P61024 1/20 0.50
SKP2 Q13309 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 2/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
TDP1 Q9NUW8 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
SCHEMBL10661898 0.93 CYP4A11 (0.69) CYP4A11CYP4F2LOXL2HSD17B10ALDH1A1
SCHEMBL1629577 0.89 CYP4A11 (0.64) CYP4A11CYP4F2LOXL2HSD17B10ALDH1A1
SCHEMBL4199917 0.86 CYP4A11 (0.70) CYP4A11CYP4F2LOXL2HSD17B10ALDH1A1
SCHEMBL13230897 0.84 CYP4A11 (0.72) CYP4A11CYP4F2LOXL2HSD17B10ALDH1A1
SCHEMBL4128844 0.83 CA12 (0.54) CYP4A11CYP4F2HSD17B10ALDH1A1TP53
SCHEMBL70185 0.83 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2HSD17B10ALDH1A1
SCHEMBL2654777 0.82 CYP4A11 (1.00) CYP4A11CYP4F2LOXL2HSD17B10ALDH1A1
SCHEMBL1792416 0.82 CYP4A11 (0.74) CYP4A11CYP4F2LOXL2HSD17B10ALDH1A1
SCHEMBL10609552 0.82 CYP4A11 (0.74) CYP4A11CYP4F2LOXL2HSD17B10ALDH1A1
SCHEMBL2263222 0.81 CYP4A11 (0.71) CYP4A11CYP4F2LOXL2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO disclosed
US-4753962-A HYPOGLYCEMIC, ANTIOBESITY AGENT BEECHAM GROUP P.L.C. (GB) 1988-06-28 US disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 US disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 US disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 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 (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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA CYP4A11 3481/4885CYP4F2 3252/4885LOXL2 554/4885

“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.