SCHEMBL18149883

SCHEMBL18149883

Cc1c(-c2ccc(F)cc2)n(Cc2ccc(Br)cc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.53
ESR2 Q92731 2/20 0.45
MLNR O43193 1/20 0.45
ABCB11 O95342 1/20 0.45
NR3C1 P04150 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
PTGS2 P35354 1/20 0.45
OPRM1 P35372 1/20 0.45

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
SCHEMBL24950321 0.94 ESR1 (0.54) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL19959084 0.92 ESR1 (0.52) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL19949652 0.91 ESR1 (0.59) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL18149862 0.91 ESR1 (0.61) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4156648 0.90 ESR1 (0.57) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4143432 0.89 ESR1 (0.60) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL30782456 0.88 ESR1 (0.57) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL19949679 0.87 ESR1 (0.50) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL19949628 0.87 ESR1 (0.46) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL18150286 0.86 ESR1 (0.68) ESR1ESR2MLNRABCB11NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406424-B Estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2020-08-25 CN disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
CN-107406424-A Estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2017-11-28 CN disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
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
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 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 2/4885ESR2 1/4885MLNR 494/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885MLNR 494/4885

“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.