SCHEMBL4424918

SCHEMBL4424918

O=C(O)c1ccc(-c2ccc3c(c2)CCC3=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 4/20 0.68
▸ TDP2 O95551 2/20 0.57
▸ CYP1A2 P05177 1/20 0.51
▸ CYP11B1 P15538 1/20 0.51
▸ CYP11B2 P19099 1/20 0.51
▸ SRD5A1 P18405 4/20 0.50
▸ SRD5A2 P31213 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ GRIK1 P39086 1/20 0.45
▸ GRIK2 Q13002 1/20 0.45
▸ GRIK3 Q13003 1/20 0.45
▸ GRM5 P41594 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RXRA P19793 2/20 0.43
▸ RXRB P28702 2/20 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
SCHEMBL1275273 0.86 SRD5A2 (0.66) HSD17B1SRD5A1SRD5A2HSD17B10CASP1
SCHEMBL29431442 0.86 SRD5A2 (0.66) HSD17B1SRD5A1SRD5A2HSD17B10CASP1
SCHEMBL17540279 0.85 HSD17B1 (0.66) HSD17B1TDP2CYP1A2CYP11B1CYP11B2
SCHEMBL28655414 0.84 HSD17B1 (0.78) HSD17B1CYP1A2CYP11B1CYP11B2HSD17B10
SCHEMBL1745161 0.82 HSD17B1 (0.71) HSD17B1TDP2CYP1A2CYP11B1CYP11B2
SCHEMBL1030949 0.81 HSD17B1 (1.00) HSD17B1TDP2CYP1A2CYP11B1CYP11B2
SCHEMBL17400409 0.78 HSD17B1 (0.56) HSD17B1CYP1A2CYP11B1CYP11B2SRD5A1
SCHEMBL1747435 0.77 HSD17B1 (0.69) HSD17B1CYP1A2CYP11B1CYP11B2HSD17B10
SCHEMBL1746656 0.77 HSD17B1 (0.69) HSD17B1TDP2CYP1A2CYP11B1CYP11B2
SCHEMBL1745120 0.77 HSD17B1 (0.69) HSD17B1CYP1A2CYP11B1CYP11B2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 — — US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 — — EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 — — US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 — — EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 — — 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 (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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 HSD17B1 2536/4885TDP2 4542/4885CYP1A2 791/4885

“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.

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