SCHEMBL4020149

SCHEMBL4020149

CC(C)CCNCc1ccc(Oc2ccc3c(c2)OC(C)(C)OC3=O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.41
PRMT6 Q96LA8 3/20 0.41
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PPARD Q03181 1/20 0.36
MAOB P27338 3/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
IL6 P05231 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4018263 0.89 ADRB2 (0.34) NPSR1MAPTMAPK1L3MBTL1MEN1
SCHEMBL4018621 0.85 CARM1 (0.39) CARM1PRMT6PPARDMAOBADRB2
SCHEMBL13632816 0.82 CARM1 (0.40) CARM1PRMT6NPSR1MAPTMAPK1
SCHEMBL4355002 0.76 LPAR1 (0.42) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4019623 0.75 KMT2A (0.39) MAPTMEN1KMT2AMAOBALDH1A1
SCHEMBL4017085 0.75 NPSR1 (0.49) CARM1PRMT6NPSR1MAPTMAPK1
SCHEMBL14252000 0.75 LPAR1 (0.41) MAPTKDM4EALDH1A1S1PR1S1PR3
SCHEMBL4358463 0.74 PPARD (0.47) CARM1PRMT6NPSR1MAPTMAPK1
SCHEMBL4018970 0.72 CARM1 (0.42) CARM1PRMT6NPSR1MAPTMAPK1
SCHEMBL13773070 0.71 OPRM1 (0.52) CARM1PRMT6NPSR1MAPTMAPK1

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 7 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
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
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO 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 CARM1 960/4885PRMT6 663/4885NPSR1 44/4885

“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.