SCHEMBL671035

SCHEMBL671035

CCCc1cc(Cc2c(CCC)nc(C)n(-c3ccccn3)c2=O)cc(CCC)c1Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
DPP4 P27487 1/20 0.38
CYBB P04839 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
PPARG P37231 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK14 Q16539 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
CCR2 P41597 1/20 0.33
DHFR P00374 1/20 0.32
USP2 O75604 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
SCHEMBL661110 0.85 DPP4 (0.41) KDM4EDPP4CYBBNOX4NOX1
SCHEMBL661118 0.84 PPARG (0.48) PPARG
SCHEMBL661385 0.82 PPARG (0.43) PPARG
SCHEMBL670038 0.82 CCR2 (0.36) KDM4EDPP4MAPK14CCR2
SCHEMBL660591 0.81 DPP4 (0.35) KDM4EDPP4CYBBNOX4NOX1
SCHEMBL666211 0.81 KDM4E (0.34) KDM4EDPP4CYBBNOX4NOX1
SCHEMBL661904 0.81 DPP4 (0.39) KDM4EDPP4CYBBNOX4NOX1
SCHEMBL660793 0.81 DPP4 (0.40) KDM4EDPP4CYBBNOX4NOX1
SCHEMBL664828 0.81 DPP4 (0.33) KDM4EDPP4CYBBNOX4NOX1
SCHEMBL660214 0.80 PPARG (0.46) PPARG

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 KDM4E 3100/4885DPP4 797/4885CYBB 4216/4885

“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.