SCHEMBL10089380

SCHEMBL10089380

Cc1cc(CSc2ccccc2SCc2cc(C)cc(-c3csc4ccccc34)c2O)c(O)c(-c2csc3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.37
ERN1 O75460 4/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TP53 P04637 2/20 0.35
APP P05067 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TNIK Q9UKE5 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
MAOB P27338 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
SCHEMBL10089356 0.86 BCHE (0.40) CYP2A6ERN1PTGS1PTGS2TP53
SCHEMBL10089369 0.79 EGFR (0.39) ALDH1A1HPGDMAOB
SCHEMBL10089354 0.75 CYP1A2 (0.36) TP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL10089345 0.71 HSD11B1 (0.40) RXFP1ALDH1A1HPGDMAPT
SCHEMBL10089384 0.68 MAPT (0.38) TP53ALDH1A1HPGDMAPT
SCHEMBL12445306 0.68 DHFR (0.35) ALDH1A1HPGDMAOB
SCHEMBL23088942 0.67 ALDH1A1 (0.41) CYP2A6ERN1PTGS1PTGS2APP
SCHEMBL4381193 0.66 CYP2A6 (0.54) CYP2A6ERN1APPALDH1A1HPGD
SCHEMBL2824135 0.66 CYP2A6 (0.63) CYP2A6ERN1APPSMN1; SMN2ALDH1A1
SCHEMBL15912542 0.66 HSP90AA1 (0.48) SMN1; SMN2ALDH1A1HPGDMAPT

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 CYP2A6 3684/4885ERN1 3919/4885PTGS1 2088/4885

“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.