SCHEMBL10089375

SCHEMBL10089375

CC(C)(C)c1cc(CSCCSCc2cc(C(C)(C)C)cc(-c3c4ccccc4cc4ccccc34)c2O)c(O)c(-c2c3ccccc3cc3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CYP2C19 P33261 5/20 0.33
NQO1 P15559 1/20 0.33
BCHE P06276 1/20 0.33
CYP1A2 P05177 6/20 0.33
ALOX5 P09917 1/20 0.33
CYP2C9 P11712 4/20 0.33
CYP2D6 P10635 4/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B2 P37059 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10089355 0.86 GPR84 (0.38) GPR84HSP90AA1HSP90AB1CYP2C19NQO1
SCHEMBL10089371 0.85 CYP1A2 (0.39) HSP90AA1HSP90AB1CYP2C19BCHECYP1A2
SCHEMBL10089352 0.80 CYP2D6 (0.38) CYP2C19BCHECYP1A2CYP2C9CYP2D6
SCHEMBL10089347 0.80 HIF1A (0.37) HSP90AA1CYP2C19CYP1A2CYP2C9CYP2D6
SCHEMBL10089374 0.76 CYP2C19 (0.40) HSP90AA1CYP2C19CYP1A2CYP2C9CYP2D6
SCHEMBL10089378 0.75 CYP2D6 (0.36) CYP2C19BCHECYP1A2CYP2C9CYP2D6
SCHEMBL10089342 0.75 CYP2D6 (0.36) CYP2C19BCHECYP1A2CYP2C9CYP2D6
SCHEMBL10089353 0.72 CYP2D6 (0.34) CYP2C19BCHECYP1A2CYP2C9CYP2D6
SCHEMBL10089381 0.72 CYP1A2 (0.34) GPR84HSP90AA1HSP90AB1CYP2C19CYP1A2
SCHEMBL10089343 0.72 EGFR (0.37) HSP90AA1HSP90AB1CYP2C19CYP1A2CYP2C9

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 GPR84 4757/4885HSP90AA1 3667/4885HSP90AB1 4306/4885

“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.