SCHEMBL3920677

SCHEMBL3920677

CCOC(CCc1cccnc1)OCC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CHRNA7 P36544 2/20 0.49
CYP2A6 P11509 1/20 0.46
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
HRH1 P35367 2/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TBXAS1 P24557 1/20 0.41

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
SCHEMBL10045668 0.92 TDP1 (0.49) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL31686137 0.84 CHRNB2 (0.49) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL26645944 0.84 CHRNB2 (0.49) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL9668987 0.84 TDP1 (0.51) TDP1L3MBTL1CHRNA7CYP2A6HRH1
SCHEMBL5962154 0.78 PPARG (0.44) L3MBTL1ALDH1A1TP53POLB
SCHEMBL22229849 0.77 CHRNA7 (0.58) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL7474917 0.77 CHRNA7 (0.58) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL104468 0.77 CHRNA7 (0.57) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL3590562 0.76 ALDH1A1 (0.60) TDP1ALDH1A1TP53POLBCYP1A2
SCHEMBL22857531 0.76 TDP1 (0.56) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2

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
US-8293695-B2 Shading composition BASF SE (DE) 2012-10-23 US disclosed
US-20090143586-A1 Method for producing alkyl-substituted aromatic and heteroaromatic compounds by cross-coupling alkyl boronic acids with aryl-or heteroaryl-halogenides or sulfonates under Pd catalysis in the presence of a ligand ARCHIMICA GMBH (DE) 2009-06-04 US disclosed
EP-1861343-B1 METHOD FOR PRODUCING ALKYL-SUBSTITUTED AROMATIC AND HETEROAROMATIC COMPOUNDS BY CROSS-COUPLING ALKYL BORONIC ACIDS WITH ARYL- OR HETEROARYL-HALOGENIDES OR SULFONATES UNDER PD CATALYSIS IN THE PRESENCE OF A LIGAND ARCHIMICA GMBH (DE) 2009-03-04 EP disclosed
US-7494964-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. (US) 2009-02-24 US disclosed
EP-1861343-A2 METHOD FOR PRODUCING ALKYL-SUBSTITUTED AROMATIC AND HETEROAROMATIC COMPOUNDS BY CROSS-COUPLING ALKYL BORONIC ACIDS WITH ARYL- OR HETEROARYL-HALOGENIDES OR SULFONATES UNDER PD CATALYSIS IN THE PRESENCE OF A LIGAND Archimica GmbH (DE) 2007-12-05 EP disclosed
EP-1651745-B1 SHADING COMPOSITION CIBA SC HOLDING AG (CH) 2007-02-21 EP disclosed
WO-2006097221-A2 METHOD FOR PRODUCING ALKYL-SUBSTITUTED AROMATIC AND HETEROAROMATIC COMPOUNDS BY CROSS-COUPLING ALKYL BORONIC ACIDS WITH ARYL- OR HETEROARYL-HALOGENIDES OR SULFONATES UNDER PD CATALYSIS IN THE PRESENCE OF A LIGAND ARCHIMICA GMBH (DE) 2006-09-21 WO disclosed
US-20060205624-A1 Shading compostion BASF SE (DE) 2006-09-14 US disclosed
US-7105692-B2 Crystalline modification of a manganese complex CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-09-12 US disclosed
US-20060100123-A1 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. 2006-05-11 US disclosed
WO-2005014769-A1 SHADING COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-02-17 WO disclosed
EP-1159388-B1 PROCESS FOR TREATING TEXTILE MATERIALS CIBA SC HOLDING AG (CH) 2004-09-08 EP disclosed
WO-2004065302-A2 CRYSTALLINE MODIFICATION OF A MANGANESE COMPLEX CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-05 WO disclosed
WO-2004007657-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-01-22 WO disclosed
US-6399558-B1 MIXTURE OF PEROXY COMPOUND AND DIIMINE COMPOUND CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-04 US disclosed
US-6387863-B1 PREVENT MIGRATION OF DYES USING MANGANESE COMPLEX CIBA SPECIALTY CHEMICALS CORPORATION 2002-05-14 US disclosed
EP-1159388-A1 PROCESS FOR TREATING TEXTILE MATERIALS Ciba SC Holding AG (CH) 2001-12-05 EP disclosed
EP-1159389-A2 WASHING AND CLEANING PROCESS Ciba Specialty Chemicals Holding Inc. (CH) 2001-12-05 EP disclosed
WO-2000053712-A1 PROCESS FOR TREATING TEXTILE MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-09-14 WO disclosed
WO-2000053708-A2 WASHING AND CLEANING PROCESS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-09-14 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 (1 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-20090143586-A1 Method for producing alkyl-substituted aromatic and heteroaromatic compounds by cross-coupling alkyl boronic acids with aryl-or heteroaryl-halogenides or sulfonates under Pd catalysis in the presence of a ligand AHR, BRS3, ARSA TDP1 2569/4885L3MBTL1 3284/4885CHRNA7 4066/4885

“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.