SCHEMBL4355002

SCHEMBL4355002

CC(C)CCN(Cc1ccc(Oc2ccc3c(c2)OC(C)(C)OC3=O)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 13/20 0.42
LPAR5 Q9H1C0 13/20 0.42
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MITF O75030 1/20 0.31
HTT P42858 1/20 0.31
P2RX3 P56373 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
F7 P08709 1/20 0.31

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
SCHEMBL4366116 0.90 LPAR1 (0.36) LPAR1LPAR5
SCHEMBL4015362 0.88 LPAR1 (0.43) LPAR1LPAR5
SCHEMBL14252000 0.88 LPAR1 (0.41) LPAR1LPAR5ALDH1A1MAPTKDM4E
SCHEMBL14252003 0.78 LPAR1 (0.35) LPAR1LPAR5
SCHEMBL4364207 0.78 LPAR1 (0.43) LPAR1LPAR5ALDH1A1MAPTMEN1
SCHEMBL14252009 0.77 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL4020149 0.76 CARM1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13632815 0.72 LPAR1 (0.40) LPAR1LPAR5ALDH1A1MEN1KMT2A
SCHEMBL4081699 0.72 SSTR4 (0.45) LPAR1LPAR5ALDH1A1MEN1KMT2A
SCHEMBL4493480 0.70 F2 (0.39) LPAR1LPAR5F2F10F7

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
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US 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

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 LPAR1 644/4885LPAR5 1129/4885ALDH1A1 492/4885

“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.