SCHEMBL503467

SCHEMBL503467

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.41
HSD17B1 P14061 4/20 0.40
HSD17B2 P37059 4/20 0.40
QDPR P09417 5/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE10A Q9Y233 1/20 0.35
FGFR1 P11362 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
ESR1 P03372 4/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL5402902 0.81 CA1 (0.45) ESR2CYP2C19
SCHEMBL5394780 0.81 ESR2 (0.39) ESR2QDPRACMSD
SCHEMBL5382437 0.80 HSD17B1 (0.46) ESR2HSD17B1HSD17B2QDPRACMSD
SCHEMBL5439557 0.80 ALDH1A1 (0.42) ESR2QDPRTDP1CYP2C19ESR1
SCHEMBL503351 0.80 ESR2 (0.44) ESR2HSD17B1HSD17B2QDPRCYP3A4
SCHEMBL5387165 0.78 ALOX5 (0.47) ESR2HSD17B1QDPRACMSDESR1
SCHEMBL503196 0.77 ESR2 (0.62) ESR2QDPRTP53CYP3A4ESR1
SCHEMBL5389243 0.77 GABRA1 (0.45) ESR2HSD17B1QDPRACMSD
SCHEMBL14560140 0.77 ESR2 (0.54) ESR2QDPRESR1
SCHEMBL5388046 0.76 ALOX5 (0.39) ESR2HSD17B1QDPRTP53TDP1

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 11 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
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed
US-20120029215-A1 METHOD FOR MANUFACTURING TRIMELLITIC ANHYDRIDE ARYL ESTER HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-02-02 US disclosed
EP-2383265-A1 METHOD FOR MANUFACTURING TRIMELLITIC ANHYDRIDE ARYL ESTER Honshu Chemical Industry Co., Ltd. (JP) 2011-11-02 EP disclosed
US-7196232-B2 4,4′-dihydroxyphenyl bicyclohexenes HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2007-03-27 US disclosed
US-7196232-B2 4,4′-dihydroxyphenyl bicyclohexenes HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2007-03-27 US disclosed
US-20060129001-A1 Novel 4,4'-dihydroxyphenyl bicyclohexenes HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2006-06-15 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 (2 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-20120029215-A1 METHOD FOR MANUFACTURING TRIMELLITIC ANHYDRIDE ARYL ESTER TRIM4, CA6, TRIM58 ESR2 4574/4885HSD17B1 552/4885HSD17B2 489/4885
US-20060129001-A1 Novel 4,4'-dihydroxyphenyl bicyclohexenes DBF4, DCUN1D4, SDC4 ESR2 2548/4885HSD17B1 2133/4885HSD17B2 1252/4885

“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.