SCHEMBL10169717

SCHEMBL10169717

O=C(c1ccc(OC2CN(CCCF)C2)cc1)c1c(-c2ccccc2Cl)noc1-c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.47

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
SCHEMBL9956546 0.90 ESR1 (0.43) ESR1
Hydrochloric Acid SCHEMBL9956229 0.90 ESR1 (0.42) ESR1
SCHEMBL10169722 0.88 ESR1 (0.49) ESR1
Hydrochloric Acid SCHEMBL9959745 0.87 ESR1 (0.49) ESR1
SCHEMBL10169697 0.84 TP53 (0.45)
SCHEMBL10169694 0.84 TP53 (0.43)
SCHEMBL9957139 0.84 ESR1 (0.43) ESR1
SCHEMBL10169702 0.82 TP53 (0.41) ESR1
SCHEMBL9960205 0.82 ESR1 (0.42) ESR1
SCHEMBL10169847 0.81 ESR1 (0.43) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 US disclosed
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 US disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 US disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 US disclosed
WO-2012084711-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MSD OSS B.V. (NL) 2012-06-28 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 (1 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-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES ESR2, ESR1, GPER1 ESR1 2/4885

“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.