SCHEMBL5382437

SCHEMBL5382437

CCc1cc(C2=CCC(C3CC=C(c4ccc(O)c(CC)c4)CC3)CC2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.46
ESR2 Q92731 5/20 0.41
ESR1 P03372 4/20 0.38
AR P10275 1/20 0.38
BACE1 P56817 1/20 0.36
QDPR P09417 5/20 0.36
ACMSD Q8TDX5 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HSD17B2 P37059 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL5387165 0.89 ALOX5 (0.47) HSD17B1ESR2ESR1QDPRACMSD
SCHEMBL5388046 0.86 ALOX5 (0.39) HSD17B1ESR2ESR1QDPRALOX5
SCHEMBL5389243 0.85 GABRA1 (0.45) HSD17B1ESR2QDPRACMSD
SCHEMBL2719243 0.81 ESR2 (0.45) HSD17B1ESR2ESR1AR
SCHEMBL503467 0.80 ESR2 (0.41) HSD17B1ESR2ESR1ARQDPR
SCHEMBL5394780 0.78 ESR2 (0.39) ESR2QDPRACMSDHSP90AA1HSP90AB1
SCHEMBL5439557 0.77 ALDH1A1 (0.42) ESR2ESR1QDPRHSP90AA1HSP90AB1
SCHEMBL4219995 0.74 HSD17B1 (0.49) HSD17B1ESR2ESR1ARBACE1
SCHEMBL503196 0.73 ESR2 (0.62) ESR2ESR1QDPRMMP3
SCHEMBL3953461 0.73 HSD17B1 (0.71) HSD17B1ESR2ESR1ARBACE1

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-7196232-B2 4,4′-dihydroxyphenyl bicyclohexenes HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2007-03-27 US claimed
US-20060129001-A1 Novel 4,4'-dihydroxyphenyl bicyclohexenes HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2006-06-15 US claimed

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-20060129001-A1 Novel 4,4'-dihydroxyphenyl bicyclohexenes DBF4, DCUN1D4, SDC4 HSD17B1 2133/4885ESR2 2548/4885ESR1 1397/4885

“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.