SCHEMBL3248128

SCHEMBL3248128

CCOC(=O)COCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HTT P42858 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.45
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3262369 0.87 PRKCA (0.52) THRBALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL901880 0.84 FFAR4 (0.55) ALOX5THRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL3257843 0.83 PPARA (0.48) ALOX5SMN1; SMN2NPSR1TAAR1PPARG
SCHEMBL3255177 0.82 PPARA (0.52) PPARGPPARAPOLB
SCHEMBL9593360 0.82 ALDH1A1 (0.62) THRBALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL27654875 0.81 ALOX5 (0.54) ALOX5THRBALDH1A1KDM4EFFAR4
SCHEMBL701131 0.81 ALDH1A1 (0.61) THRBALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL11255205 0.80 HDAC1 (0.52) ALOX5THRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL3259593 0.79 ABCB1 (0.55) ALOX5ALDH1A1KDM4ESMN1; SMN2PPARG
SCHEMBL8789673 0.78 ALOX5 (0.56) ALOX5THRBKDM4EFFAR4HTT

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
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 ALOX5 964/4885THRB 869/4885ALDH1A1 1422/4885

“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.