SCHEMBL666400

SCHEMBL666400

CCCCc1nc(C)nc(OCc2ccccc2)c1Cc1cc(CCC)c(OC(C)(C(=O)O)c2ccccc2)c(CCC)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGER1 P34995 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
DPP4 P27487 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
SCHEMBL661712 0.84 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL660772 0.82 PPARG (0.48) PPARGPPARA
SCHEMBL664828 0.77 DPP4 (0.33) PPARGDPP4
SCHEMBL665635 0.76 PPARD (0.36) PPARA
SCHEMBL661137 0.73 PPARG (0.48) PPARGPPARA
SCHEMBL666211 0.71 KDM4E (0.34) PPARGPPARADPP4
SCHEMBL661496 0.68 DHFR (0.37)
SCHEMBL661373 0.68 DHFR (0.33)
SCHEMBL660771 0.68 PPARG (0.49) PPARGPPARA
SCHEMBL670411 0.66 NPC1 (0.45)

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 PDE4A 2285/4885PDE4B 2738/4885PDE4C 3665/4885

“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.