SCHEMBL4017085

SCHEMBL4017085

COc1cccc(Oc2ccc(CNCCC(C)C)cc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PPARD Q03181 1/20 0.48
CARM1 Q86X55 2/20 0.48
PRMT6 Q96LA8 2/20 0.48
CHRM2 P08172 1/20 0.46
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR35 Q9HC97 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL4358463 0.87 PPARD (0.47) NPSR1MAPTMAPK1L3MBTL1PPARD
SCHEMBL11990101 0.77 MAOB (0.48) NPSR1MAPTL3MBTL1PPARDMEN1
SCHEMBL4018970 0.76 CARM1 (0.42) NPSR1MAPTMAPK1L3MBTL1PPARD
SCHEMBL8546474 0.76 PPARD (0.47) PPARDCARM1PRMT6MEN1KMT2A
SCHEMBL4020149 0.75 CARM1 (0.41) NPSR1MAPTMAPK1L3MBTL1PPARD
SCHEMBL13632816 0.75 CARM1 (0.40) NPSR1MAPTMAPK1L3MBTL1PPARD
SCHEMBL514951 0.74 NPSR1 (0.70) NPSR1MAPTMAPK1L3MBTL1MEN1
SCHEMBL31061408 0.74 NPSR1 (0.70) NPSR1MAPTMAPK1L3MBTL1MEN1
SCHEMBL13773070 0.73 OPRM1 (0.52) NPSR1MAPTMAPK1L3MBTL1PPARD
SCHEMBL20871212 0.72 CHRM2 (0.64) NPSR1MAPTMAPK1L3MBTL1CHRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
EP-2064199-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-06-03 EP disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 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-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 NPSR1 44/4885MAPT 3508/4885MAPK1 1804/4885

“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.