SCHEMBL660793

SCHEMBL660793

CCCc1cc(Cc2c(CC)nc(C)n(-c3ccccn3)c2=O)cc(CCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
DHFR P00374 2/20 0.40
KDM4E B2RXH2 3/20 0.38
CYBB P04839 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK14 Q16539 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL661110 0.95 DPP4 (0.41) DPP4DHFRKDM4ECYBBNOX4
SCHEMBL661904 0.92 DPP4 (0.39) DPP4DHFRKDM4ECYBBNOX4
SCHEMBL661693 0.83 PPARG (0.47)
SCHEMBL671035 0.81 KDM4E (0.38) DPP4DHFRKDM4ECYBBNOX4
SCHEMBL661118 0.78 PPARG (0.48)
SCHEMBL660591 0.77 DPP4 (0.35) DPP4KDM4ECYBBNOX4NOX1
SCHEMBL661385 0.77 PPARG (0.43)
SCHEMBL664828 0.77 DPP4 (0.33) DPP4KDM4ECYBBNOX4NOX1
SCHEMBL666226 0.75 PPARD (0.35) DPP4KDM4E
SCHEMBL667431 0.75 PPARG (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD DPP4 797/4885DHFR 2581/4885KDM4E 3100/4885

“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.