SCHEMBL14815544

SCHEMBL14815544

CCC(O)c1ccc(-c2ccc(COCOC)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
PDE10A Q9Y233 1/20 0.34
KCNH2 Q12809 1/20 0.33
ATM Q13315 1/20 0.33
NAAA Q02083 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN1 Q05586 1/20 0.31
PPARG P37231 2/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 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
SCHEMBL14815508 0.81 ESR1 (0.39) ESR1ESR2KCNH2ATM
SCHEMBL14815649 0.79 PTGS2 (0.30)
SCHEMBL14829473 0.78 PPARG (0.36) CA1CA2PPARG
SCHEMBL14815087 0.77 CYP17A1 (0.50)
SCHEMBL19292671 0.74
SCHEMBL14815373 0.72 ERN1 (0.36) NAAA
SCHEMBL14829629 0.72 MCHR1 (0.38) NAAA
SCHEMBL14814851 0.70 HSD11B1 (0.50) GRIN2BGRIN1
SCHEMBL14815002 0.69 MKNK1 (0.55)
SCHEMBL14815530 0.69 PDGFRB (0.51) ESR1ESR2KCNH2CA1CA2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760854-B1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER ASANA BIOSCIENCES LLC (US) 2017-08-30 EP disclosed
EP-2760854-B1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER ASANA BIOSCIENCES LLC (US) 2017-08-30 EP disclosed
US-9199975-B2 Biaryl imidazole derivatives for regulating CYP17 ASANA BIOSCIENCES, LLC (US) 2015-12-01 US disclosed
US-9199975-B2 Biaryl imidazole derivatives for regulating CYP17 ASANA BIOSCIENCES, LLC (US) 2015-12-01 US disclosed
US-9199975-B2 Biaryl imidazole derivatives for regulating CYP17 ASANA BIOSCIENCES, LLC (US) 2015-12-01 US disclosed
US-20130085164-A1 Imidazole Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20130085164-A1 Imidazole Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20130085164-A1 Imidazole Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
WO-2013049565-A1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER ENDO PHARMACEUTICALS INC. (US) 2013-04-04 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-20130085164-A1 Imidazole Derivatives CYP17A1, CYP2A7, CYP11B1 ESR1 624/4885ESR2 2127/4885PDE10A 766/4885

“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.