SCHEMBL10089387

SCHEMBL10089387

Oc1c(Cl)cc(Cl)cc1CSCCSCc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.83
CYP2C9 P11712 3/20 0.83
PRMT1 Q99873 1/20 0.59
CYP3A4 P08684 5/20 0.50
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
RECQL P46063 3/20 0.50
HSP90AA1 P07900 2/20 0.49
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 1/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 4/20 0.45
MAPK1 P28482 3/20 0.45
HTT P42858 3/20 0.45
POLB P06746 3/20 0.45
MAPT P10636 3/20 0.45
HIF1A Q16665 3/20 0.45

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
SCHEMBL10089373 0.92 CYP1A2 (0.77) CYP1A2CYP2C9PRMT1CYP3A4HSD17B10
SCHEMBL14471349 0.86 CYP1A2 (0.69) CYP1A2CYP2C9PRMT1CYP3A4HSD17B10
SCHEMBL14648333 0.79 CYP1A2 (0.59) CYP1A2CYP2C9PRMT1CYP3A4HSD17B10
SCHEMBL22795105 0.77 CYP1A2 (0.57) CYP1A2CYP2C9PRMT1CYP3A4HSD17B10
SCHEMBL11505512 0.76 HSD17B10 (0.62) CYP1A2CYP2C9PRMT1CYP3A4HSD17B10
SCHEMBL67608 0.76 HSP90AA1 (0.74) CYP1A2CYP2C9PRMT1CYP3A4HSD17B10
SCHEMBL10089372 0.74 HSP90AA1 (0.56) CYP1A2CYP2C9PRMT1CYP3A4HSD17B10
SCHEMBL1907836 0.74 HSD17B10 (0.59) CYP1A2CYP2C9PRMT1CYP3A4HSD17B10
SCHEMBL28903722 0.74 HSD17B10 (0.59) CYP1A2CYP2C9PRMT1CYP3A4HSD17B10
SCHEMBL29577605 0.74 HSD17B10 (0.59) CYP1A2CYP2C9PRMT1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383753-B2 Polydentate heteroatom ligand containing metal complexes, catalysts and methods of making and using the same DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-02-26 US disclosed
US-8383753-B2 Polydentate heteroatom ligand containing metal complexes, catalysts and methods of making and using the same DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-02-26 US disclosed
US-20120029159-A1 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-02 US disclosed
US-20120029159-A1 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-02 US disclosed
US-8071701-B2 Polydentate heteroatom ligand containing metal complexes, catalysts and methods of making and using the same DOW GLOBAL TECHNOLOGIES LLC (US) 2011-12-06 US disclosed
US-8071701-B2 Polydentate heteroatom ligand containing metal complexes, catalysts and methods of making and using the same DOW GLOBAL TECHNOLOGIES LLC (US) 2011-12-06 US disclosed
US-20090221770-A1 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME DOW GLOBAL TECHNOLOGIES INC. 2009-09-03 US disclosed
US-20090221770-A1 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME DOW GLOBAL TECHNOLOGIES INC. 2009-09-03 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 (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-20090221770-A1 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME PICALM, PARG, POLM CYP1A2 4502/4885CYP2C9 3550/4885PRMT1 2160/4885

“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.