SCHEMBL8064614

SCHEMBL8064614

COc1nc2cc(C(O)C(C)C)ccc2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RORC P51449 4/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
OGA O60502 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ABCB11 O95342 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 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
SCHEMBL8070809 0.89 UGT2B7 (0.42) CYP2C9RORCAKR1C3AKR1C2ABCB11
SCHEMBL8082935 0.83 RORC (0.33) RORCABCB11
SCHEMBL8066979 0.81 GRM1 (0.40) CYP17A1CYP2C9CYP2C19AKR1C3AKR1C2
SCHEMBL31571073 0.81 GRM1 (0.40) CYP17A1CYP2C9CYP2C19AKR1C3AKR1C2
SCHEMBL8156719 0.79 ALDH1A1 (0.36) CYP1A2TSHR
SCHEMBL13167016 0.77 DHODH (0.39) RORCSLC6A2SLC6A4SLC6A3
SCHEMBL13597758 0.75 CYP1A2 (0.48) CYP1A2TSHR
SCHEMBL12301238 0.74 PPARG (0.35) RORCAKR1C3AKR1C2PPARGPPARD
SCHEMBL8155683 0.74 UGT2B7 (0.42) CYP17A1CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL379575 0.72 BACE1 (0.43) CYP2C19CYP1A2TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
WO-2009053373-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-30 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-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 CYP17A1 2192/4885CYP2C9 2671/4885CYP2C19 1069/4885

“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.