SCHEMBL10089355

SCHEMBL10089355

CC(C)(C)c1cc(CSc2ccccc2SCc2cc(C(C)(C)C)cc(-c3c4ccccc4cc4ccccc34)c2O)c(O)c(-c2c3ccccc3cc3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP2C19 P33261 2/20 0.33
NQO1 P15559 1/20 0.33
ALOX5 P09917 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 3/20 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
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL10089375 0.86 GPR84 (0.39) GPR84HSP90AA1HSP90AB1CYP2C19NQO1
SCHEMBL10089343 0.85 EGFR (0.37) HSP90AA1HSP90AB1EGFRERBB2CYP2C19
SCHEMBL10089377 0.81 CYP2D6 (0.37) MCL1CYP2C19CYP2D6CYP1A2
SCHEMBL10089361 0.81 HIF1A (0.39) HSP90AA1EGFRERBB2CYP2C19POLB
SCHEMBL12445186 0.80 EGFR (0.36) EGFRERBB2CYP2C19POLBCYP2D6
SCHEMBL10089368 0.76 CYP2C19 (0.47) HSP90AA1CYP2C19ALOX5POLBCYP2D6
SCHEMBL14471347 0.75 CYP2D6 (0.35) MCL1CYP2C19CYP2D6CYP1A2
SCHEMBL14471345 0.74 EGFR (0.34) EGFRERBB2POLBCYP2D6NR1I2
SCHEMBL10089385 0.73 CYP2D6 (0.33) MCL1CYP2C19CYP2D6LMNAALDH1A1
SCHEMBL10089349 0.72 AKR1C3 (0.34) GPR84HSP90AA1HSP90AB1CYP2C19ALOX5

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 GPR84 4757/4885HSP90AA1 3667/4885HSP90AB1 4306/4885

“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.