SCHEMBL6498256

SCHEMBL6498256

Cc1cc(O)ccc1-c1ccc(N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.66
ESR1 P03372 8/20 0.61
HSD17B1 P14061 1/20 0.61
FGFR1 P11362 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CA3 P07451 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
CA6 P23280 1/20 0.46
CASP1 P29466 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TNIK Q9UKE5 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
DHFR P00374 1/20 0.42
APP P05067 2/20 0.42
USP7 Q93009 1/20 0.42

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
SCHEMBL2211186 0.88 ESR2 (0.55) ESR2ESR1HSD17B1FGFR1ALDH1A1
SCHEMBL439874 0.87 ESR2 (0.76) ESR2ESR1HSD17B1FGFR1HSD17B10
SCHEMBL29738442 0.87 ESR2 (0.76) ESR2ESR1HSD17B1FGFR1HSD17B10
SCHEMBL2718119 0.85 ESR2 (0.73) ESR2ESR1HSD17B1FGFR1HSD17B10
SCHEMBL27479510 0.84 CASP1 (0.47) ESR2ESR1HSD17B1ALDH1A1CA3
SCHEMBL99566 0.83 ALDH1A1 (0.54) ESR2ESR1HSD17B1ALDH1A1CYP3A4
SCHEMBL8953996 0.81 ALDH1A1 (0.52) ESR2ESR1HSD17B1ALDH1A1CYP3A4
SCHEMBL8953943 0.81 CYP3A4 (0.50) ESR2ESR1HSD17B1ALDH1A1CYP3A4
Methane SCHEMBL28805939 0.81 ALDH1A1 (0.52) ESR2ESR1HSD17B1ALDH1A1CYP3A4
SCHEMBL7137793 0.81 ALOX5 (0.61) ESR2ESR1ALDH1A1CA3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 US disclosed
US-4010279-A BIPHENYLOXY DERIVATIVES AND ANTIHYPERLIPIDEMIC USE BOEHRINGER INGELHEIM GMBH (DT) 1977-03-01 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 ESR2 1838/4885ESR1 1743/4885HSD17B1 1042/4885

“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.