SCHEMBL668158

SCHEMBL668158

CCCCc1nc(C)n(CC2CCCCC2)c(=O)c1Cc1cc(CCC)c(Oc2c(C)cccc2CC(=O)O)c(CCC)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35
PDE1C Q14123 2/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CCR2 P41597 1/20 0.33
CCR5 P51681 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 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
SCHEMBL667706 0.85 CCR2 (0.34) CCR2CCR5
SCHEMBL661989 0.82 PPARG (0.45) PPARG
SCHEMBL660857 0.81 PDE1A (0.42) CNR2PDE1APDE1BPDE1CCCR2
SCHEMBL668157 0.81 PPARG (0.40) ALDH1A1NPSR1PLA2G1BATG4BPPARG
SCHEMBL666226 0.79 PPARD (0.35) CCR2CCR5PPARG
SCHEMBL667884 0.78 TP53 (0.34) ALDH1A1CCR2CCR5
SCHEMBL659532 0.78 LTB4R (0.35) PPARG
SCHEMBL666743 0.77 NPC1 (0.40) CCR2CCR5L3MBTL1PPARG
SCHEMBL667423 0.76 PTGER4 (0.36) CCR2CCR5PPARG
SCHEMBL667685 0.74 CCR2 (0.31) CCR2CCR5

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 CNR1 101/4885CNR2 254/4885PDE1A 1821/4885

“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.