SCHEMBL2424327

SCHEMBL2424327

CCOB(OCC)c1cncc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 1/20 0.31
CYP2A6 P11509 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
SCHEMBL2419169 0.81 HCAR2 (0.33) HCAR2
SCHEMBL2417632 0.79 CHRNB2 (0.37) HCAR2
SCHEMBL2421639 0.78 CYP11B1 (0.41)
SCHEMBL2417143 0.78 CYP11B1 (0.38) CYP2C9
SCHEMBL14983545 0.75
SCHEMBL8931090 0.74 HCAR2 (0.36) ATMHCAR2CYP2A6
SCHEMBL14983439 0.71 ACHE (0.42) CYP2C9CYP2C19
SCHEMBL18417966 0.70 HCAR2 (0.40) ATMHCAR2CYP2A6
SCHEMBL4849535 0.69 CHRNB2 (0.40) CYP2C9CYP2C19CYP2A6
SCHEMBL30941538 0.69 HCAR2 (0.43) ATMHCAR2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102282133-A decahydro-1H-indenoquinolinone and decahydro-3H-cyclopentaphenanthrenone CYP17 inhibitors 2011-12-14 CN disclosed
EP-2362872-A2 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS BioMarin Pharmaceutical Inc. (US) 2011-09-07 EP disclosed
WO-2010062506-A2 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS LEAD THERAPEUTICS, INC. (US) 2010-06-03 WO disclosed
US-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS LEAD THERAPEUTICS, INC. (US) 2010-04-29 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-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS CYP17A1, HSD17B1, CYP21A2 ATM 3942/4885HCAR2 1644/4885CYP2C9 69/4885

“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.