SCHEMBL334886

SCHEMBL334886

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
CTSK P43235 1/20 0.33

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
SCHEMBL42660 0.80 MEN1 (0.38) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL16828345 0.73 ALDH1A1 (0.34) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL7712185 0.71 TSHR (0.45) ALDH1A1HIF1ACTSK
SCHEMBL248788 0.71
SCHEMBL334562 0.68 MAPK1 (0.32) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL16828348 0.68 ALDH1A1 (0.36) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL332010 0.67
SCHEMBL11007623 0.67 MEN1 (0.30) ALDH1A1MEN1HTTKMT2AHIF1A
SCHEMBL809218 0.67 TSHR (0.55) ALDH1A1
SCHEMBL20361867 0.64 GAA (0.44) ALDH1A1CTSK

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594608-B1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RES CORP TECHNOLOGIES INC (US) 1997-10-15 EP claimed
EP-0594608-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1994-05-04 EP claimed
EP-0594608-A4 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1993-03-15 EP claimed
US-5175311-A Reacting olefin with carbene precursor RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-29 US claimed
WO-1991014672-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-03 WO 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-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-25 US disclosed
US-20090069519-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS NATIONAL SCIENCE FOUNDATION 2009-03-12 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
EP-0594608-B1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RES CORP TECHNOLOGIES INC (US) 1997-10-15 EP disclosed
US-5296595-A Metal complexes with bridging ligands RESEARCH CORPORATION TECHNOLOGIES (US) 1994-03-22 US disclosed
US-5175311-A Reacting olefin with carbene precursor RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-29 US disclosed
US-4197408-A COPPER COMPLEX CATALYST, 2,5-DIMETHYL-2,4-HEXADIEN) REACTED WITH DIAZOACETATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-04-08 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 ALDH1A1 2164/4885MEN1 4764/4885HTT 4034/4885
US-20170084954-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES NUDC, NCAPH, C2CD5 ALDH1A1 4533/4885MEN1 1795/4885HTT 967/4885
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS DUOX2, DUOX1, PPOX ALDH1A1 1047/4885MEN1 3493/4885HTT 1683/4885
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 ALDH1A1 2164/4885MEN1 4764/4885HTT 4034/4885
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations RUVBL2, SPR, RUVBL1 ALDH1A1 2164/4885MEN1 4764/4885HTT 4034/4885

“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.