SCHEMBL921658

SCHEMBL921658

Cc1cc(C)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP2A6 P11509 1/20 0.52
AR P10275 5/20 0.51
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
CYP19A1 P11511 1/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
IL18 Q14116 1/20 0.47
CACNA1G O43497 1/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL8544256 0.96 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP2A6ARPARP15
SCHEMBL459019 0.85 ALDH1A1 (0.73) ALDH1A1CYP2A6ARPARP15PARP10
SCHEMBL29582194 0.85 PARP15 (0.57) ALDH1A1SMN1; SMN2CYP2A6ARPARP15
SCHEMBL31070296 0.83 AR (0.63) ALDH1A1CYP2A6ARPARP15PARP10
SCHEMBL921433 0.83 AR (0.63) ALDH1A1CYP2A6ARPARP15PARP10
SCHEMBL8852392 0.82 PARP15 (0.63) ALDH1A1SMN1; SMN2CYP2A6ARPARP15
SCHEMBL9352887 0.82 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL7041250 0.82 PARP15 (0.63) ALDH1A1SMN1; SMN2CYP2A6ARPARP15
SCHEMBL924026 0.81 AR (0.55) ALDH1A1SMN1; SMN2CYP2A6ARPARP15
SCHEMBL31070291 0.80 ALDH1A1 (0.64) ALDH1A1CYP2A6ARPARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032261-A1 METHOD FOR SYNTHESISING BIARYL ETHER OR BIHETEROARYL ETHER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2012-03-15 WO disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 US disclosed
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 WO disclosed
WO-2008136770-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-11-13 WO disclosed
US-7202367-B2 Process for arylating or vinylating or alkynating a nucleophilic compound RHODIA CHIMIE (FR) 2007-04-10 US disclosed
US-7202367-B2 Process for arylating or vinylating or alkynating a nucleophilic compound RHODIA CHIMIE (FR) 2007-04-10 US disclosed
US-20050234239-A1 Method of forming a carbon-carbon or carbon-heteroatom linkage SHASUN PHARMA SOLUTIONS, INC. 2005-10-20 US disclosed
US-20030236413-A1 Catalysis in presence of a metallic element, an imine ligand and nitrogen compound as chelating compound, forming a chemical intermediates in the agrochemical and pharmaceutical fields SHASUN PHARMA SOLUTIONS, INC. 2003-12-25 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 (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-20050234239-A1 Method of forming a carbon-carbon or carbon-heteroatom linkage AOC1, AOC3, NUDT1 ALDH1A1 436/4885SMN1; SMN2 3694/4885CYP2A6 140/4885
US-20030236413-A1 Catalysis in presence of a metallic element, an imine ligand and nitrogen compound as chelating compound, forming a chemical intermediates in the agrochemical and pharmaceutical fields ALK, INMT, ACHE ALDH1A1 559/4885SMN1; SMN2 661/4885CYP2A6 123/4885
US-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS SCO2, CYCS, NCLN ALDH1A1 4680/4885SMN1; SMN2 1942/4885CYP2A6 3554/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ALDH1A1 2743/4885SMN1; SMN2 4796/4885CYP2A6 3797/4885

“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.