SCHEMBL4125025

SCHEMBL4125025

CC(C)(C)C(O)(COc1ccc(Cl)nc1)c1cncs1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNA3 P32297 2/20 0.34
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34

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
SCHEMBL456036 0.87 CYP2C9 (0.38) —
SCHEMBL9854842 0.83 TRPM8 (0.41) —
SCHEMBL14942315 0.83 APP (0.35) —
SCHEMBL442378 0.82 ALDH1A1 (0.35) —
SCHEMBL9854911 0.82 ALOX5 (0.36) —
SCHEMBL4129963 0.81 CHRNB2 (0.40) CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL4124970 0.81 CYP17A1 (0.32) —
SCHEMBL4131407 0.80 CYP17A1 (0.33) —
SCHEMBL15368074 0.76 RORC (0.37) —
SCHEMBL14922134 0.75 CYP2C19 (0.33) —

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
US-9145403-B2 Heterocyclic alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-29 — — US disclosed
US-9145403-B2 Heterocyclic alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-29 — — US disclosed
US-9051308-B2 — — 2015-06-09 — — US disclosed
US-9051308-B2 — — 2015-06-09 — — US disclosed
US-8993776-B2 Heterocyclic alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-31 — — US disclosed
US-8993776-B2 Heterocyclic alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-31 — — US disclosed
US-8575356-B2 Heterocyclic alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-05 — — US disclosed
US-8575356-B2 Heterocyclic alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-05 — — US disclosed
US-20130197236-A1 Novel Heterocyclic Alkanol Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-01 — — US disclosed
US-20130197236-A1 Novel Heterocyclic Alkanol Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-01 — — US disclosed
US-20130012390-A1 Novel Heterocyclic Alkanol Derivatives Beyer Intellectual Property GmbH (DE) 2013-01-10 — — US disclosed
US-20130012390-A1 Novel Heterocyclic Alkanol Derivatives Beyer Intellectual Property GmbH (DE) 2013-01-10 — — US disclosed
US-20120108423-A1 Novel Heterocyclic Alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2012-05-03 — — US disclosed
US-20120108423-A1 Novel Heterocyclic Alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2012-05-03 — — US disclosed
WO-2011147811-A1 HETEROCYCLIC ALKANOL DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-01 — — 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 (3 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-20130012390-A1 Novel Heterocyclic Alkanol Derivatives ERG28, CBR3, MYB CHRNA3 4315/4885CHRNB2 4529/4885CHRNA4 4492/4885
US-20120108423-A1 Novel Heterocyclic Alkanol Derivatives ERG28, CBR3, MYB CHRNA3 4315/4885CHRNB2 4529/4885CHRNA4 4492/4885
US-20130197236-A1 Novel Heterocyclic Alkanol Derivatives ERG28, CBR3, MYB CHRNA3 4315/4885CHRNB2 4529/4885CHRNA4 4492/4885

“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.

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