SCHEMBL661386

SCHEMBL661386

CCCc1cc(Cc2c(CCC)nc(C)n(-c3ccccn3)c2=O)cc(CCC)c1Oc1ccccc1CC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARD Q03181 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGER4 P35408 1/20 0.32
DPP4 P27487 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL671035 0.83 KDM4E (0.38) KDM4EALDH1A1MAPK14HPGDPOLB
SCHEMBL661110 0.80 DPP4 (0.41) KDM4EALDH1A1MAPK14HPGDNPSR1
SCHEMBL662216 0.80 PPARG (0.39) KDM4E
SCHEMBL661385 0.80 PPARG (0.43)
SCHEMBL661118 0.80 PPARG (0.48)
SCHEMBL670038 0.80 CCR2 (0.36) KDM4EMAPK14DPP4
SCHEMBL660780 0.79 PPARD (0.36) TP53THRBPPARD
SCHEMBL659896 0.78 PPARG (0.36)
SCHEMBL661904 0.76 DPP4 (0.39) KDM4EMAPTPOLBCYP2C9DPP4
SCHEMBL661693 0.76 PPARG (0.47)

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 3100/4885ALDH1A1 1063/4885TP53 1997/4885

“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.