SCHEMBL10089353

SCHEMBL10089353

CC(C)(C)c1cc(CSCCSCc2cc(C(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PPARG P37231 2/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
DNM1 Q05193 1/20 0.31
BCHE P06276 1/20 0.31
TSHR P16473 2/20 0.30

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
SCHEMBL10089386 0.95 LMNA (0.33) CYP2D6LMNACYP2C19CYP1A2CYP2C9
SCHEMBL15912544 0.94 CYP2C19 (0.34) CYP2D6LMNACYP2C19CYP1A2CYP2C9
SCHEMBL14773892 0.93 FOLH1 (0.35) CYP2D6LMNACYP2C19CYP1A2CYP2C9
SCHEMBL10089358 0.89 HTR1D (0.36) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL10089385 0.86 CYP2D6 (0.33) CYP2D6LMNACYP2C19CYP1A2CYP2C9
SCHEMBL5035121 0.85 CYP2D6 (0.38) CYP2D6LMNACYP2C19CYP1A2CYP2C9
SCHEMBL14702256 0.83 CYP2C19 (0.38) CYP2D6LMNACYP2C19CYP1A2CYP2C9
SCHEMBL14705553 0.81 CYP2D6 (0.38) CYP2D6CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL14703029 0.81 CYP2D6 (0.38) CYP2D6CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL16077897 0.81 CYP2D6 (0.38) CYP2D6CYP2C19CYP1A2CYP2C9ALDH1A1

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 CYP2D6 2941/4885LMNA 4307/4885CYP2C19 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.