SCHEMBL10089359

SCHEMBL10089359

CCc1oc2ccccc2c1-c1cc(C)cc(CSCCSCc2cc(C)cc(-c3c(CC)oc4ccccc34)c2O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 8/20 0.42
CYP2C9 P11712 7/20 0.42
EYA3 Q99504 4/20 0.40
TTR P02766 3/20 0.40
MEN1 O00255 2/20 0.40
ABCB11 O95342 2/20 0.40
LMNA P02545 2/20 0.40
PGR P06401 2/20 0.40
ADRA2A P08913 2/20 0.40
TBXA2R P21731 2/20 0.40
OPRM1 P35372 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KMT2A Q03164 2/20 0.40
BIRC5 O15392 1/20 0.40
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL10089364 0.88 CYP2C19 (0.41) CYP2C19CYP2C9EYA3TTRMEN1
SCHEMBL10089438 0.74 CYP2C19 (0.32) CYP2C19CYP2C9EYA3TTRMEN1
SCHEMBL10089370 0.72 BCHE (0.44) CYP2C19CYP2C9PTGS1ALDH1A1CYP1A2
SCHEMBL10089344 0.72 BCHE (0.39) CYP2C19CYP2C9MEN1LMNAKMT2A
SCHEMBL27649528 0.69 EYA3 (0.43) CYP2C19CYP2C9EYA3TTRMEN1
SCHEMBL10089356 0.69 BCHE (0.40) PTGS1ALDH1A1MAPTHPGDBCHE
SCHEMBL11750759 0.66 EYA3 (0.55) CYP2C19CYP2C9EYA3TTRMEN1
SCHEMBL28104532 0.66 CYP2C19 (0.62) CYP2C19CYP2C9EYA3TTRMEN1
SCHEMBL7499188 0.64 PTPN1 (0.74) CYP2C19CYP2C9EYA3TTRMEN1
SCHEMBL10089363 0.63 HSD11B1 (0.44) ALDH1A1ESR1MAPTBCHE

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 CYP2C19 4184/4885CYP2C9 3550/4885EYA3 4498/4885

“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.