SCHEMBL5035121

SCHEMBL5035121

CC(C)(C)c1cc(CO)c(O)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 4/20 0.37
KLF10 Q13118 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 2/20 0.34
DNM1 Q05193 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 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
SCHEMBL14702256 0.89 CYP2C19 (0.38) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL10089382 0.85 PPARG (0.36) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL10089353 0.85 CYP2D6 (0.34) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL10089385 0.84 CYP2D6 (0.33) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL10089366 0.84 PPARG (0.35) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL13376100 0.84 CYP2C19 (0.40) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL10089386 0.83 LMNA (0.33) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL10089351 0.83 PPARG (0.35) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL15912544 0.82 CYP2C19 (0.34) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL14773892 0.81 FOLH1 (0.35) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A

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 7 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-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
EP-1973655-A2 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2008-10-01 EP disclosed
WO-2007075299-A2 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2007-07-05 WO 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 CYP2D6 2941/4885CYP2C19 4184/4885KLF10 3113/4885

“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.