SCHEMBL13633128

SCHEMBL13633128

CCCCOC(=O)N(CCC(C)C)Cc1ccc(Oc2ccc(C(N)=O)c(O)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.42
LPAR5 Q9H1C0 7/20 0.42
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H3 Q13133 1/20 0.34
LMNA P02545 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL13632839 0.90 LPAR1 (0.36) LPAR1LPAR5F2F10F7
SCHEMBL13632817 0.87 LPAR1 (0.42) LPAR1LPAR5S1PR1S1PR3HTT
SCHEMBL4364207 0.86 LPAR1 (0.43) LPAR1LPAR5HTTALDH1A1KDM4E
SCHEMBL14252000 0.79 LPAR1 (0.41) LPAR1LPAR5S1PR1S1PR3HTT
SCHEMBL13632815 0.77 LPAR1 (0.40) LPAR1LPAR5S1PR1S1PR3HTT
SCHEMBL13638403 0.77 LPAR1 (0.40) LPAR1LPAR5HTTALDH1A1KDM4E
SCHEMBL4017318 0.76 LPAR1 (0.37) LPAR1LPAR5MEN1KMT2AF2
SCHEMBL4018970 0.75 CARM1 (0.42) S1PR1S1PR3HTTALDH1A1KDM4E
SCHEMBL13638253 0.75 FAAH (0.39) LPAR1LPAR5NR1H3F2F10
SCHEMBL4021777 0.74 LPAR1 (0.44) LPAR1LPAR5HTTLMNA

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 3 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
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 LPAR1 644/4885LPAR5 1129/4885S1PR1 917/4885

“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.