SCHEMBL8066979

SCHEMBL8066979

CCc1cc2ccc(C(O)C(C)C)cc2nc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.40
CYP17A1 P05093 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
AKR1C3 P42330 6/20 0.35
AKR1C2 P52895 6/20 0.35
GFER P55789 1/20 0.34
PTGS1 P23219 3/20 0.33
AKR1C1 Q04828 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
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33

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
SCHEMBL31571073 1.00 GRM1 (0.40) GRM1CYP17A1CYP2C9CYP2C19ALDH1A1
SCHEMBL8060208 0.90 GRM1 (0.41) GRM1ALDH1A1KDM4EL3MBTL1AKR1C3
SCHEMBL31571076 0.90 GRM1 (0.41) GRM1ALDH1A1KDM4EL3MBTL1AKR1C3
SCHEMBL8156954 0.86 GRM1 (0.40) GRM1ALDH1A1KDM4EL3MBTL1AKR1C3
SCHEMBL8153599 0.84 LTB4R (0.42) GRM1CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL13230062 0.83 GRM1 (0.38) GRM1L3MBTL1PPARG
SCHEMBL8154310 0.82 GRM1 (0.45) GRM1ALDH1A1KDM4EL3MBTL1GFER
SCHEMBL8064614 0.81 CYP17A1 (0.38) CYP17A1CYP2C9CYP2C19AKR1C3AKR1C2
SCHEMBL8154980 0.81 GRM1 (0.39) GRM1ALDH1A1KDM4EL3MBTL1GFER
SCHEMBL12894106 0.78 GRM1 (0.46) GRM1AKR1C3AKR1C2PTGS1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101892-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS AND USES THEREOF Astellas Engineered Small Molecules US, Incorporated (US) 2025-05-15 WO disclosed
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 GRM1 3148/4885CYP17A1 2192/4885CYP2C9 2671/4885

“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.