SCHEMBL17845089

SCHEMBL17845089

COc1ccc(C(=O)C#Cc2ccc(F)c(F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.63
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
VNN1 O95497 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL17858186 0.91 APP (0.63) APPGAASMN1; SMN2VNN1
SCHEMBL10069794 0.85 APP (0.84) APPCES2CES1CA1CA2
SCHEMBL10170737 0.84 APP (0.73) APPCES2CES1
SCHEMBL28629549 0.84 APP (0.73) APPCES2CES1
SCHEMBL9470391 0.80 APP (0.55) APPGAACA1CA2
SCHEMBL27167232 0.79 APP (0.75) APPCES2CES1MAOAMAOB
SCHEMBL28695966 0.79 APP (0.75) APPCES2CES1MAOAMAOB
SCHEMBL28972914 0.78 APP (0.73) APPSMN1; SMN2CES2CES1VNN1
SCHEMBL28972824 0.78 APP (0.73) APPCES2CES1MAOAMAOB
SCHEMBL10069797 0.77 APP (0.72) APPCES2CES1MAOBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

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 APP 1145/4885GAA 4353/4885SMN1; SMN2 4324/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 APP 1145/4885GAA 4353/4885SMN1; SMN2 4324/4885

“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.