SCHEMBL661496

SCHEMBL661496

CCCCc1nc(C)nc(OCCOC)c1Cc1cc(CCC)c(O)c(CCC)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.37
SMPD3 Q9NY59 1/20 0.33
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PDE10A Q9Y233 2/20 0.30

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
SCHEMBL661373 0.84 DHFR (0.33) DHFR
SCHEMBL661712 0.83 PDE4A (0.39) DHFR
SCHEMBL661137 0.80 PPARG (0.48)
SCHEMBL662918 0.75 DHFR (0.36) DHFRHPGD
SCHEMBL9846011 0.71 PPARG (0.39)
SCHEMBL9846042 0.69
SCHEMBL14246120 0.68 AGTR1 (0.39)
SCHEMBL663011 0.68 APLNR (0.40) DHFRSMPD3HPGDPDE10A
SCHEMBL5339547 0.66 NPC1 (0.47) DHFRNPC1HPGDMAPK1HTT
SCHEMBL5431340 0.66 DHFR (0.46) DHFRNPC1HPGDMAPK1HTT

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 DHFR 2581/4885SMPD3 3053/4885NPC1 1827/4885

“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.