SCHEMBL4287288

SCHEMBL4287288

CCCCCCCCCCc1ccc(CN(C)C2CCC(C(=O)OCC)(C(=O)OCC)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.34
CNR1 P21554 6/20 0.34
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
TYR P14679 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL4287267 1.00 CNR2 (0.34) CNR2CNR1ALDH1A1MEN1HTT
SCHEMBL4288416 0.95 DRD4 (0.33) CNR2CNR1ALDH1A1MEN1HTT
SCHEMBL4288406 0.95 DRD4 (0.33) CNR2CNR1ALDH1A1MEN1HTT
SCHEMBL4287094 0.91 POLB (0.32) CNR2CNR1MEN1KMT2AMAPT
SCHEMBL4290755 0.88 TSHR (0.34) CNR2CNR1MEN1HTTKMT2A
SCHEMBL4287381 0.88 TSHR (0.34) CNR2CNR1MEN1HTTKMT2A
SCHEMBL4298739 0.88 TSHR (0.33) CNR2CNR1MEN1HTTKMT2A
SCHEMBL5797225 0.87 CNR2 (0.32) CNR2CNR1ALDH1A1L3MBTL1
SCHEMBL5796210 0.87 TSHR (0.33) CNR2CNR1MEN1HTTKMT2A
SCHEMBL5795054 0.86 SPHK1 (0.33) MEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 CNR2 25/4885CNR1 27/4885ALDH1A1 1287/4885

“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.