SCHEMBL12005164

SCHEMBL12005164

Cc1cc(-c2ccc(C(C)(c3ccc(O)c(C)c3)c3ccc(O)c(C)c3)cc2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.70
ESR2 Q92731 7/20 0.70
HSD17B1 P14061 7/20 0.55
HSD17B2 P37059 7/20 0.55
AR P10275 3/20 0.50
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FGFR1 P11362 1/20 0.42

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
SCHEMBL31209779 0.96 ESR1 (0.75) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL10774275 0.96 ESR1 (0.75) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL12004206 0.93 ESR1 (0.61) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL12004194 0.91 ESR1 (0.59) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL12005784 0.91 ESR1 (0.68) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL12004569 0.91 ESR1 (0.68) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL29471727 0.88 ESR1 (0.80) ESR1ESR2ARCYP3A4CYP2D6
SCHEMBL29465776 0.88 ESR1 (0.80) ESR1ESR2ARCYP3A4CYP2D6
SCHEMBL217305 0.88 ESR1 (0.80) ESR1ESR2ARCYP3A4CYP2D6
SCHEMBL12004567 0.85 ESR1 (0.57) ESR1ESR2HSD17B1HSD17B2AR

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-8816135-B2 Trisphenol compound HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-26 US disclosed
US-20120220805-A1 NOVEL TRISPHENOL COMPUND HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-08-30 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-20120220805-A1 NOVEL TRISPHENOL COMPUND NCOR1, NCOR2, NCOA1 ESR1 40/4885ESR2 18/4885HSD17B1 285/4885

“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.