SCHEMBL4287003

SCHEMBL4287003

CCCCCCCCCc1ccc(CN2CCC(C(=O)OCC)(C(=O)OCC)CC2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.39
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
KCNA3 P22001 1/20 0.38

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
SCHEMBL4295372 0.95 MEN1 (0.41) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL4290004 0.95 MEN1 (0.41) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL4288615 0.91 MEN1 (0.39) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL4287216 0.86 S1PR1 (0.38) MEN1KMT2AHTTOPRM1TDP1
SCHEMBL4295816 0.85 MEN1 (0.36) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL4296546 0.82 MGLL (0.35) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL4293459 0.81 LMNA (0.54) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL4296531 0.80 S1PR1 (0.36) MEN1KMT2AHTTMAPK1TDP1
SCHEMBL4288625 0.80 CNR2 (0.38) ALDH1A1KDM4E
SCHEMBL13662757 0.80 TYR (0.38) MEN1KMT2AHTTALDH1A1KDM4E

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-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 MEN1 2804/4885KMT2A 3264/4885POLB 4135/4885

“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.