SCHEMBL1003776

SCHEMBL1003776

N#Cc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.58
TRPV4 Q9HBA0 1/20 0.54
PGR P06401 2/20 0.51

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
SCHEMBL16953011 0.86 AR (0.53) ARPGR
SCHEMBL16952494 0.86 AR (0.54) ARTRPV4PGR
SCHEMBL16879240 0.86 AR (0.54) ARPGR
SCHEMBL19478937 0.83 TRPV4 (0.47) ARTRPV4PGR
SCHEMBL5203682 0.83 KIF11 (0.53) ARTRPV4PGR
SCHEMBL7569957 0.83 TRPV4 (0.58) ARTRPV4
SCHEMBL7604551 0.81 TRPV4 (0.56) ARTRPV4
SCHEMBL17654338 0.81 KIF11 (0.51) ARTRPV4
SCHEMBL24176787 0.79 TRPV4 (0.44) ARTRPV4PGR
SCHEMBL5991602 0.79 AR (0.46) ARPGR

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
WO-2023148215-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2023-08-10 WO disclosed
EP-4223739-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES Novaled GmbH (DE) 2023-08-09 EP disclosed
EP-3666772-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-06-17 EP disclosed
EP-2767531-A1 Cyclic n,n'-diarylthioureas and n,n'-diarylureas as androgen receptor antagonists, anti-cancer agent, method for producing and using same Ivachtchenko, Alexandre Vasilievich (US) 2014-08-20 EP disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
US-20110306615-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-12-15 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
WO-2008121602-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
EP-1275637-B1 Process for the preparation of aromatic nitriles SALTIGO GMBH (DE) 2007-01-17 EP disclosed
US-6784308-B2 CATALYZING THE NITRIDING REACTION OF HALOGENOAROMATICS OR ARYL PERFLUOROSULFONATES AND ALKALI METAL CYANIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-08-31 US disclosed
US-20030018209-A1 Process for the preparation of aromatic nitriles LANXESS DEUTSCHLAND GMBH (DE) 2003-01-23 US disclosed
EP-1275637-A1 Process for the preparation of aromatic nitriles Bayer Aktiengesellschaft (DE) 2003-01-15 EP 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 (4 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B AR 2897/4885TRPV4 822/4885PGR 2672/4885
US-20110306615-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CBR1, NR0B1, CNKSR1 AR 546/4885TRPV4 2232/4885PGR 1300/4885
US-20030018209-A1 Process for the preparation of aromatic nitriles AHR, PAH, NISCH AR 1632/4885TRPV4 836/4885PGR 521/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B AR 2897/4885TRPV4 822/4885PGR 2672/4885

“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.