SCHEMBL10089358

SCHEMBL10089358

CC(C)(C)c1cc(CSCCSCc2cc(C(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.36
CYP2D6 P10635 4/20 0.35
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DNMT1 P26358 3/20 0.31
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31

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
SCHEMBL10089353 0.89 CYP2D6 (0.34) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL10089389 0.84 CYP2D6 (0.35) HTR1DCYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL10089386 0.84 LMNA (0.33) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL20921602 0.84 HTR1D (0.39) HTR1DCYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL15912544 0.83 CYP2C19 (0.34) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL20614606 0.83 HTR1D (0.38) HTR1DCYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL14773892 0.82 FOLH1 (0.35) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL20616719 0.81 CYP2D6 (0.39) HTR1DCYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL20616720 0.80 CYP2D6 (0.40) HTR1DCYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL10089385 0.75 CYP2D6 (0.33) 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 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 HTR1D 4697/4885CYP2D6 2941/4885CYP2C19 4184/4885

“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.