SCHEMBL17845134

SCHEMBL17845134

Brc1ccc(-c2cc3ccc(OCc4ccccc4)cc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
ALOX5 P09917 1/20 0.50
CYP3A4 P08684 2/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MCL1 Q07820 1/20 0.46
NR4A2 P43354 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRA P18433 1/20 0.43
F9 P00740 1/20 0.43
F10 P00742 1/20 0.43
GSTP1 P09211 1/20 0.43
MAOA P21397 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
SCHEMBL30430896 0.92 ALOX5 (0.55) MAOBALOX5CYP3A4ESR1ESR2
SCHEMBL6807350 0.91 ALOX5 (0.57) MAOBALOX5CYP3A4ESR1ESR2
SCHEMBL7453943 0.88 ESR1 (0.58) MAOBALOX5CYP3A4ESR1ESR2
SCHEMBL7456912 0.87 MAOB (0.55) MAOBALOX5CYP3A4ESR1ESR2
SCHEMBL7455290 0.85 MAOB (0.55) MAOBALOX5CYP3A4ESR1ESR2
SCHEMBL21906717 0.84 MRGPRX4 (0.47) ALOX5CYP3A4ESR1ESR2NR4A2
SCHEMBL7452873 0.82 CA12 (0.47) MAOBALOX5CYP3A4ESR1ESR2
SCHEMBL26292141 0.81 ESR1 (0.46) ESR1ESR2CA2
SCHEMBL27970437 0.81 ALOX5 (0.58) MAOBALOX5CYP3A4CA12CA1
SCHEMBL205800 0.76 HDAC6 (0.48) ESR1ESR2CA2

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 15 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
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
EP-3233828-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2017-10-25 EP 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
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO 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 MAOB 1556/4885ALOX5 1429/4885CYP3A4 205/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 MAOB 1556/4885ALOX5 1429/4885CYP3A4 205/4885

“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.