SCHEMBL334562

SCHEMBL334562

CC(C)=CCC(C)(C)OC(=O)C=[N+]=[N-]

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL16828345 0.78 ALDH1A1 (0.34) MEN1ALDH1A1HTTKMT2AHIF1A
SCHEMBL5836235 0.74 TTR (0.40) ALDH1A1
SCHEMBL42660 0.73 MEN1 (0.38) MEN1ALDH1A1HTTKMT2AHIF1A
SCHEMBL334886 0.68 ALDH1A1 (0.35) MEN1ALDH1A1HTTKMT2AHIF1A
SCHEMBL16828348 0.66 ALDH1A1 (0.36) MAPK1MEN1ALDH1A1HTTKMT2A
SCHEMBL14815405 0.64 ALDH1A1 (0.53) MEN1ALDH1A1KMT2A
SCHEMBL20198678 0.63 TSHR (0.32) MAPK1ALDH1A1HIF1A
SCHEMBL332010 0.61
SCHEMBL11859635 0.61 MAPK1 (0.38) MAPK1MEN1ALDH1A1KMT2A
SCHEMBL4412 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38947-E1 Method of enantioselectively catalyzing a reaction RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2006-01-24 US claimed
US-5296595-A Metal complexes with bridging ligands RESEARCH CORPORATION TECHNOLOGIES (US) 1994-03-22 US claimed
US-9994595-B2 Catalyst and battery components derived from condensation reactions with carba-closo-dodecaborate amines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-12 US disclosed
US-20170084954-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 US disclosed
WO-2015139060-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-17 WO disclosed
US-8558017-B2 Ruthenium (II) catalysts for use in stereoselective cyclopropanations VANDA PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2013-01-24 US disclosed
US-20120149906-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2012-06-14 US disclosed
US-8097738-B2 Ruthenium (II) catalysts for use in stereoselective cyclopropanations VANDA PHARMACEUTICALS INC. (US) 2012-01-17 US disclosed
US-20100228039-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2010-09-09 US disclosed
US-7754902-B2 Ruthenium(II) catalysts for use in stereoselective cyclopropanations VANDA PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations R.P. SCHERER TECHNOLOGIES, INC. 2007-11-22 US disclosed
US-RE38947-E1 Method of enantioselectively catalyzing a reaction RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2006-01-24 US disclosed
US-5296595-A Metal complexes with bridging ligands RESEARCH CORPORATION TECHNOLOGIES (US) 1994-03-22 US 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 (5 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-20120149906-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 MAPK1 4818/4885MEN1 4764/4885ALDH1A1 2164/4885
US-20170084954-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES NUDC, NCAPH, C2CD5 MAPK1 4483/4885MEN1 1795/4885ALDH1A1 4533/4885
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 MAPK1 4818/4885MEN1 4764/4885ALDH1A1 2164/4885
US-20100228039-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 MAPK1 4818/4885MEN1 4764/4885ALDH1A1 2164/4885
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations RUVBL2, SPR, RUVBL1 MAPK1 4818/4885MEN1 4764/4885ALDH1A1 2164/4885

“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.