SCHEMBL660857

SCHEMBL660857

CCCCc1nc(C)n(CC2CCCCC2)c(=O)c1Cc1cc(CCC)c(O)c(CCC)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.42
PDE1B Q01064 3/20 0.42
PDE1C Q14123 3/20 0.42
CNR2 P34972 1/20 0.36
DHFR P00374 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
CCR2 P41597 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL661989 0.81 PPARG (0.45)
SCHEMBL668157 0.80 PPARG (0.40)
SCHEMBL662608 0.79 PDE4A (0.43) CCR2CCR5
SCHEMBL662918 0.79 DHFR (0.36) DHFRCCR2CCR5
SCHEMBL28784944 0.75 PPARG (0.37) PDE1APDE1BPDE1C
SCHEMBL1894992 0.75 ACHE (0.44)
SCHEMBL1896359 0.72 SLC33A1 (0.62)
Bromide SCHEMBL1894527 0.71 SLC33A1 (0.61)
SCHEMBL1889927 0.71 SLC33A1 (0.61)
SCHEMBL1892339 0.71 SLC33A1 (0.61)

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 PDE1A 1821/4885PDE1B 2407/4885PDE1C 2080/4885

“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.