SCHEMBL10089376

SCHEMBL10089376

CC(C)(C)c1cc(CSCCSCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2C19 P33261 7/20 0.43
HSPA5 P11021 2/20 0.43
CYP2C9 P11712 7/20 0.42
HIF1A Q16665 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 5/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSP90AA1 P07900 1/20 0.40
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
HPN P05981 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL10089362 0.93 ALDH1A1 (0.43) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL7241079 0.93 ALDH1A1 (0.47) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL2813062 0.87 NR5A2 (0.44) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL14471346 0.87 HSPA5 (0.40) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL28489721 0.87 NR5A2 (0.44) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL7860247 0.81 VCAM1 (0.43) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL10089347 0.80 HIF1A (0.37) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL17500076 0.80 ALDH1A1 (0.48) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL466567 0.80 CYP2C19 (0.50) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL30903568 0.80 HSPA5 (0.66) ALDH1A1GAAXBP1MAPK1HTT

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 ALDH1A1 4287/4885GAA 1883/4885XBP1 4727/4885

“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.