SCHEMBL10089347

SCHEMBL10089347

CC(C)(C)c1cc(CSCCSCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(-c2cccc3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 5/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 3/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
ADRA2A P08913 1/20 0.32
ACHE P22303 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
SCHEMBL10089371 0.94 CYP1A2 (0.39) HIF1ACYP1A2CYP2C19CYP2C9HSP90AA1
SCHEMBL10089361 0.88 HIF1A (0.39) HIF1ACYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL17500077 0.83 HSP90AA1 (0.49) HIF1ACYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL10089343 0.81 EGFR (0.37) HIF1ACYP1A2CYP2C19CYP2C9HSP90AA1
SCHEMBL10089381 0.81 CYP1A2 (0.34) CYP1A2CYP2C19CYP2C9HSP90AA1ALDH1A1
SCHEMBL2331853 0.81 CYP2D6 (0.38) CYP1A2CYP2C19CYP2C9ALDH1A1CYP2D6
SCHEMBL10089349 0.81 AKR1C3 (0.34) CYP1A2CYP2C19HSP90AA1ALDH1A1CYP2D6
SCHEMBL10089376 0.80 ALDH1A1 (0.45) HIF1ACYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL10089375 0.80 GPR84 (0.39) HIF1ACYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL12445186 0.79 EGFR (0.36) HIF1ACYP1A2CYP2C19CYP2C9ALDH1A1

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 HIF1A 3429/4885CYP1A2 4502/4885CYP2C19 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.