SCHEMBL5389243

SCHEMBL5389243

CC(C)Cc1cc(C2=CCC(C3CC=C(c4ccc(O)c(CC(C)C)c4)CC3)CC2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.45
GABRB2 P47870 3/20 0.45
ESR2 Q92731 1/20 0.38
QDPR P09417 5/20 0.34
HSD17B1 P14061 2/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ACMSD Q8TDX5 2/20 0.31
NAMPT P43490 1/20 0.30

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
SCHEMBL5382437 0.85 HSD17B1 (0.46) ESR2QDPRHSD17B1ACMSD
SCHEMBL3816888 0.83 ESR2 (0.42) GABRA1GABRB2ESR2QDPR
SCHEMBL5387165 0.82 ALOX5 (0.47) GABRA1GABRB2ESR2QDPRHSD17B1
SCHEMBL5394780 0.80 ESR2 (0.39) GABRA1GABRB2ESR2QDPRTHRA
SCHEMBL5388046 0.80 ALOX5 (0.39) ESR2QDPRHSD17B1
SCHEMBL503467 0.77 ESR2 (0.41) ESR2QDPRHSD17B1ACMSD
SCHEMBL5439557 0.73 ALDH1A1 (0.42) ESR2QDPR
SCHEMBL503196 0.70 ESR2 (0.62) ESR2QDPR
SCHEMBL3816880 0.70 GABRA1 (0.59) GABRA1GABRB2ESR2HSD17B1
SCHEMBL2719243 0.68 ESR2 (0.45) ESR2HSD17B1

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 GABRA1 1572/4885GABRB2 1845/4885ESR2 2548/4885

“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.