SCHEMBL795801

SCHEMBL795801

CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.73
NR3C1 P04150 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
SLC6A3 Q01959 1/20 0.62
ESR2 Q92731 1/20 0.62

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
SCHEMBL795800 1.00 ESR1 (0.73) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL795188 0.93 ESR1 (0.73) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL795187 0.93 ESR1 (0.73) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL795960 0.91 ESR1 (0.72) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL795959 0.91 ESR1 (0.72) ESR1NR3C1CYP2C9CYP2C19SLC6A3
SCHEMBL795170 0.91 ESR1 (0.74) ESR1
SCHEMBL795171 0.91 ESR1 (0.74) ESR1
SCHEMBL795732 0.89 ESR1 (0.74) ESR1
SCHEMBL795731 0.89 ESR1 (0.74) ESR1
SCHEMBL794378 0.89 ESR1 (0.85) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 US claimed
EP-2616445-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2013-07-24 EP claimed
WO-2012037411-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-18 WO claimed
WO-2012037411-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 WO claimed
EP-2735562-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2023-11-15 EP disclosed
US-20190233897-A1 NOVEL ESTROGEN RECEPTOR MUTATIONS AND USES THEREOF FOUNDATION MEDICINE, INC. 2019-08-01 US disclosed
US-10093983-B2 Estrogen receptor mutations and uses thereof FOUNDATION MEDICINE, INC. (US) 2018-10-09 US disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9399646-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2016-07-26 US disclosed
US-20160145691-A1 NOVEL ESTROGEN RECEPTOR MUTATIONS AND USES THEREOF FOUNDATION MEDICINE, INC. 2016-05-26 US disclosed
EP-2735562-B1 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2015-03-11 EP disclosed
EP-2735562-A1 Estrogen receptor modulators and uses thereof Seragon Pharmaceuticals, Inc. (US) 2014-05-28 EP disclosed
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 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 (5 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-20160145691-A1 NOVEL ESTROGEN RECEPTOR MUTATIONS AND USES THEREOF ESR1, ESR2, ESRRG ESR1 1/4885NR3C1 125/4885CYP2C9 4422/4885
US-20190233897-A1 NOVEL ESTROGEN RECEPTOR MUTATIONS AND USES THEREOF ESR1, ESR2, ESRRG ESR1 1/4885NR3C1 125/4885CYP2C9 4422/4885
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 ESR1 4/4885NR3C1 44/4885CYP2C9 1600/4885
US-10093983-B2 Estrogen receptor mutations and uses thereof ESR1, ESR2, ESRRG ESR1 1/4885NR3C1 86/4885CYP2C9 3796/4885
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 ESR1 4/4885NR3C1 44/4885CYP2C9 1609/4885

“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.