SCHEMBL5388046

SCHEMBL5388046

CCCCc1cc(C2=CCC(C3CC=C(c4ccc(O)c(CCCC)c4)CC3)CC2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
TYR P14679 3/20 0.38
ESR2 Q92731 5/20 0.38
HSD17B1 P14061 2/20 0.34
ESR1 P03372 4/20 0.34
QDPR P09417 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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 0.92 ALOX5 (0.47) ALOX5ESR2HSD17B1ESR1QDPR
SCHEMBL5382437 0.86 HSD17B1 (0.46) ALOX5ESR2HSD17B1ESR1QDPR
SCHEMBL3809673 0.83 ESR2 (0.41) ALOX5TYRESR2ESR1MEN1
SCHEMBL5389243 0.80 GABRA1 (0.45) ESR2HSD17B1QDPR
SCHEMBL4223426 0.80 ESR2 (0.40) ALOX5TYRESR2ESR1MEN1
SCHEMBL4223459 0.79 TYR (0.41) ALOX5TYRESR2ESR1MEN1
SCHEMBL4216580 0.79 TYR (0.41) ALOX5TYRESR2ESR1MEN1
SCHEMBL4227424 0.79 TYR (0.41) ALOX5TYRESR2ESR1MEN1
SCHEMBL4226123 0.77 TYR (0.47) ALOX5TYRESR2HSD17B1ESR1
SCHEMBL17709428 0.76 TYR (0.55) ALOX5TYRESR2HSD17B1ESR1

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 ALOX5 2726/4885TYR 660/4885ESR2 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.