SCHEMBL18150144

SCHEMBL18150144

O=Cc1c(-c2ccc(O)cc2-c2ccc(F)cc2)sc2cc(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.49
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
RAB9A P51151 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APP P05067 1/20 0.40
SULT1A1 P50225 1/20 0.40

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
SCHEMBL17845138 0.88 ESR1 (0.58) ESR1APPSULT1A1
SCHEMBL18150143 0.81 ESR1 (0.67) ESR1
SCHEMBL16346118 0.81 ESR1 (0.52) ESR1
SCHEMBL30898315 0.81 ESR1 (0.52) ESR1
SCHEMBL20425311 0.71 ESR1 (0.60) ESR1APPSULT1A1
SCHEMBL30610954 0.71 ESR1 (0.60) ESR1APPSULT1A1
SCHEMBL19143729 0.71 ESR1 (0.60) ESR1APPSULT1A1
SCHEMBL8514130 0.70 PELI1 (0.47) ESR1KDM4ENPC1ALDH1A1GAA
SCHEMBL31683627 0.69 ESR1 (0.81) ESR1
SCHEMBL8631942 0.69 ESR1 (0.81) ESR1

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-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 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-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885KDM4E 2479/4885NPC1 2307/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885KDM4E 2479/4885NPC1 2307/4885

“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.