SCHEMBL5402886

SCHEMBL5402886

CC(C)c1cc(C2(c3ccc(O)c(C(C)C)c3)CCC(C3CCC(c4ccc(O)c(C(C)C)c4)(c4ccc(O)c(C(C)C)c4)CC3)CC2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HSP90AA1 P07900 6/20 0.35
HSP90AB1 P08238 6/20 0.35
LMNA P02545 2/20 0.33
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
KARS1 Q15046 1/20 0.32
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL14616327 0.85 ESR1 (0.40) ESR1ESR2GABRA1GABRB2HSP90AA1
SCHEMBL3023143 0.85 ESR1 (0.61) ESR1ESR2GABRA1GABRB2HSP90AA1
SCHEMBL29459439 0.83 ESR1 (0.62) ESR1ESR2GABRA1GABRB2HSP90AA1
SCHEMBL298390 0.83 ESR1 (0.62) ESR1ESR2GABRA1GABRB2HSP90AA1
SCHEMBL3809453 0.83 ESR2 (0.48) ESR1ESR2
SCHEMBL10939878 0.78 ESR1 (0.61) ESR1ESR2GABRA1GABRB2HSP90AA1
SCHEMBL5386114 0.78 ESR1 (0.71) ESR1ESR2LMNA
SCHEMBL17532651 0.78 TRPA1 (0.40) ESR1ESR2GABRA1GABRB2HSP90AA1
SCHEMBL5386081 0.77 GABRA1 (0.49) ESR1ESR2GABRA1GABRB2HSP90AA1
SCHEMBL16581349 0.75 ESR1 (0.39) ESR1ESR2HSP90AA1HSP90AB1TRPA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9122147-B2 Pattern forming process SHIN-ESTU CHEMICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-9122147-B2 Pattern forming process SHIN-ESTU CHEMICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-20140235057-A1 PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-21 US disclosed
US-20140235057-A1 PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-21 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 ESR1 1397/4885ESR2 2548/4885GABRA1 1572/4885

“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.