SCHEMBL5402902

SCHEMBL5402902

Cc1cc(C2=CCC(C3CC=C(c4cc(C)c(O)c(C)c4)CC3)CC2)cc(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR2 Q92731 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACHE P22303 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL503467 0.81 ESR2 (0.41) ESR2CYP2C19
SCHEMBL5387226 0.78
SCHEMBL3811731 0.77 ESR2 (0.43) CA1CA2ESR2CYP2C9
SCHEMBL19677844 0.76 CA2 (0.47) CA1CA2CYP2C9CYP1A2CYP2C19
SCHEMBL14560140 0.74 ESR2 (0.54) ESR2ACHE
SCHEMBL19677851 0.73 CA2 (0.44) CA1CA2CYP2C9CYP1A2CYP2C19
SCHEMBL19677840 0.73 CA2 (0.44) CA1CA2CYP2C9CYP1A2CYP2C19
SCHEMBL503196 0.73 ESR2 (0.62) CA1CA2ESR2
SCHEMBL278530 0.72 KDM4E (0.39) CYP2C9CYP1A2CYP2C19
SCHEMBL5391151 0.71 ESR2 (0.42) ESR2CYP2C9CYP1A2CYP2C19

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 9 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-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 (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 CA1 2766/4885CA2 2954/4885ESR2 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.