SCHEMBL27776

SCHEMBL27776

Cc1cscc1OCCBr

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32

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
SCHEMBL29161152 0.90 CYP2A6 (0.31) CYP2A6
Chloroform SCHEMBL29264544 0.83
SCHEMBL22726955 0.81 MAPT (0.40) CYP2A6
SCHEMBL12101527 0.79 HTR1B (0.39) CYP2A6
SCHEMBL9444609 0.79 CYP2C9 (0.41)
SCHEMBL9444538 0.79 CYP2A6 (0.35) CYP2A6
SCHEMBL15422818 0.76 ESR1 (0.40)
SCHEMBL721815 0.76 ESR1 (0.40)
SCHEMBL12763637 0.76 KDM4E (0.49)
SCHEMBL246349 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373246-B1 DETECTION OF NEGATIVELY CHARGED POLYMERS USING WATER-SOLUBLE, CATIONIC, POLYTHIOPHENE DERIVATIVES GENEOHM SCIENCES CANADA INC (CA) 2012-09-12 EP disclosed
EP-2404915-A1 Detection of negatively charged polymers using water-soluble, cationic, polythiophene derivatives Infectio Diagnostic (I.D.I.) Inc. (CA) 2012-01-11 EP disclosed
US-7897348-B2 Detection of negatively charged polymers using water-soluble, cationic, polythiophene derivatives GENEOHM SCIENCES CANADA, INC. (CA) 2011-03-01 US disclosed
US-7897348-B2 Detection of negatively charged polymers using water-soluble, cationic, polythiophene derivatives GENEOHM SCIENCES CANADA, INC. (CA) 2011-03-01 US disclosed
US-7897348-B2 Detection of negatively charged polymers using water-soluble, cationic, polythiophene derivatives GENEOHM SCIENCES CANADA, INC. (CA) 2011-03-01 US disclosed
US-20100294723-A1 DETECTION OF NEGATIVELY CHARGED POLYMERS USING WATER-SOLUBLE, CATIONIC, POLYTHIOPHENE DERIVATIVES GENOM SCIENCES CANADA INC. (CA) 2010-11-25 US disclosed
US-20100294723-A1 DETECTION OF NEGATIVELY CHARGED POLYMERS USING WATER-SOLUBLE, CATIONIC, POLYTHIOPHENE DERIVATIVES GENOM SCIENCES CANADA INC. (CA) 2010-11-25 US disclosed
US-20100294723-A1 DETECTION OF NEGATIVELY CHARGED POLYMERS USING WATER-SOLUBLE, CATIONIC, POLYTHIOPHENE DERIVATIVES GENOM SCIENCES CANADA INC. (CA) 2010-11-25 US disclosed
US-20100035272-A1 DETECTION OF NEGATIVELY CHARGED POLYMERS USING WATER-SOLUBLE, CATIONIC, POLYTHIOPHENE DERIVATIVES LECLERC MARIO 2010-02-11 US disclosed
US-20100035272-A1 DETECTION OF NEGATIVELY CHARGED POLYMERS USING WATER-SOLUBLE, CATIONIC, POLYTHIOPHENE DERIVATIVES LECLERC MARIO 2010-02-11 US disclosed
US-7446213-B2 Detection of negatively charged polymers using water-soluble, cationic, polythiophene derivatives GENEOHM SCIENCES CANADA, INC. (CA) 2008-11-04 US disclosed
US-7083928-B2 Detection of negatively charged polymers using water-soluble, cationic, polythiophene derivatives INFECTIO DIAGNOSTIC (I.D.I.), INC. (CA) 2006-08-01 US disclosed
US-20060160124-A1 Detection of negatively charged polymers using water-soluble, cationic, polythiophene derivatives GENEOHM SCIENCES CANADA INC. (CA) 2006-07-20 US disclosed
US-20040171001-A1 Detection of negatively charged polymers using water-soluble, cationic, polythiophene derivatives GENEOHM SCIENCES CANADA INC. (CA) 2004-09-02 US disclosed
EP-1373246-A2 DETECTION OF NEGATIVELY CHARGED POLYMERS USING WATER-SOLUBLE, CATIONIC, POLYTHIOPHENE DERIVATIVES Infectio Diagnostic (I.D.I.) INC. (CA) 2004-01-02 EP disclosed
WO-2002081735-A2 DETECTION OF NEGATIVELY CHARGED POLYMERS USING WATER-SOLUBLE, CATIONIC, POLYTHIOPHENE DERIVATIVES INFECTIO DIAGNOSTIC (I.D.I.), INC. (CA) 2002-10-17 WO disclosed
EP-0918766-B1 SELF-ACID-DOPED HIGHLY CONDUCTING POLYTHIOPHENES UNIV MONTREAL (CA) 2002-02-06 EP disclosed
US-6051679-A A META-ALKYLSULFONATE OR META-ALKYLSULFONIC ACID MONOMER CONTAINING POLYTHIOPHENE; POLYMERIZED BY OXIDATIVE DOPING OF THE MONOMER UNIVERSITEDE MONTREAL (CA) 2000-04-18 US disclosed
EP-0918766-A1 NOVEL SELF-ACID-DOPED HIGHLY CONDUCTING POLYTHIOPHENES UNIVERSITE DE MONTREAL (CA) 1999-06-02 EP disclosed
WO-1998003499-A1 NOVEL SELF-ACID-DOPED HIGHLY CONDUCTING POLYTHIOPHENES UNIVERSITE DE MONTREAL (CA) 1998-01-29 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 (2 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-20060160124-A1 Detection of negatively charged polymers using water-soluble, cationic, polythiophene derivatives DNTT, POLRMT, TRDMT1 CYP2A6 4861/4885
US-20040171001-A1 Detection of negatively charged polymers using water-soluble, cationic, polythiophene derivatives DNTT, POLRMT, NUDT1 CYP2A6 4846/4885

“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.