SCHEMBL662072

SCHEMBL662072

CCCCc1nc(C)[nH]c(=O)c1Cc1cc(CCC)c(O[Si](C)(C)C(C)(C)C)c(CCC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.35
DHFR P00374 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CCR2 P41597 1/20 0.30
CCR5 P51681 1/20 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
SCHEMBL661155 0.80 NOS3 (0.33) PDE10ADHFR
SCHEMBL663683 0.76 DHFR (0.32) DHFRCCR2CCR5
SCHEMBL662063 0.76 LMNA (0.39) MAPTKDM4ECCR2CCR5
SCHEMBL659620 0.75 DHFR (0.32) DHFRCCR2CCR5
SCHEMBL661373 0.75 DHFR (0.33) DHFR
SCHEMBL660591 0.74 DPP4 (0.35) KDM4ECCR2CCR5
SCHEMBL9423837 0.71 MAPT (0.38) MAPTHTTKDM4EPKMHSD17B10
SCHEMBL661490 0.71 MAPT (0.34) MAPTKDM4EPKMHSD17B10CCR2
SCHEMBL661351 0.69 DRD2 (0.31)
SCHEMBL9139332 0.69 DHFR (0.36) DHFR

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 PDE10A 1274/4885DHFR 2581/4885MAPT 4322/4885

“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.