SCHEMBL10089356

SCHEMBL10089356

Cc1cc(CSCCSCc2cc(C)cc(-c3csc4ccccc34)c2O)c(O)c(-c2csc3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
CYP2A6 P11509 2/20 0.38
ERN1 O75460 4/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TP53 P04637 2/20 0.36
APP P05067 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TNIK Q9UKE5 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 2/20 0.34
IDO1 P14902 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL10089380 0.86 CYP2A6 (0.37) CYP2A6ERN1PTGS1PTGS2TP53
SCHEMBL10089370 0.78 BCHE (0.44) BCHEPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL10089344 0.69 BCHE (0.39) BCHESMN1; SMN2ALDH1A1MAPT
SCHEMBL10089359 0.69 CYP2C19 (0.42) BCHEPTGS1ALDH1A1MAPTHPGD
SCHEMBL10089363 0.68 HSD11B1 (0.44) BCHERXFP1ALDH1A1MAPT
SCHEMBL4381193 0.67 CYP2A6 (0.54) CYP2A6ERN1APPALDH1A1MAPT
SCHEMBL15102105 0.65 MAOB (0.44) CYP2A6ERN1TP53APPSMN1; SMN2
SCHEMBL23088942 0.65 ALDH1A1 (0.41) CYP2A6ERN1PTGS1PTGS2APP
SCHEMBL10089369 0.64 EGFR (0.39) ALDH1A1HPGDMAOB
SCHEMBL2824135 0.64 CYP2A6 (0.63) CYP2A6ERN1APPSMN1; SMN2ALDH1A1

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 BCHE 3802/4885CYP2A6 3684/4885ERN1 3919/4885

“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.