SCHEMBL4288452

SCHEMBL4288452

CCCCCCCCCCOc1ccc(CN2CCC(C(=O)O)(C(=O)OCC)CC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 3/20 0.58
MEN1 O00255 2/20 0.58
NPC1 O15118 2/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
P4HB P07237 2/20 0.51
GAA P10253 3/20 0.48
S1PR5 Q9H228 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
MAPK1 P28482 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4290727 0.92 RAB9A (0.64) KMT2ASMN1; SMN2RAB9AMEN1NPC1
SCHEMBL4300481 0.83 LMNA (0.53) KMT2ASMN1; SMN2MEN1P4HBGAA
SCHEMBL4293459 0.77 LMNA (0.54) KMT2ASMN1; SMN2MEN1GAAS1PR5
SCHEMBL5796299 0.76 RARB (0.50) KMT2ASMN1; SMN2MEN1GAAS1PR5
SCHEMBL4287372 0.75 RARB (0.52) KMT2AMEN1S1PR5ALDH1A1OPRM1
SCHEMBL13271411 0.75 S1PR5 (0.74) KMT2ASMN1; SMN2RAB9AMEN1NPC1
SCHEMBL4289276 0.72 THRA (0.48) KMT2ASMN1; SMN2RAB9AMEN1NPC1
SCHEMBL4433994 0.72 THRA (0.48) KMT2ASMN1; SMN2RAB9AMEN1NPC1
SCHEMBL5797072 0.72 S1PR1 (0.60) KMT2AMEN1S1PR5ALDH1A1
SCHEMBL4289421 0.72 S1PR1 (0.60) KMT2AMEN1S1PR5ALDH1A1

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-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
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 KMT2A 3264/4885SMN1; SMN2 3876/4885RAB9A 4078/4885

“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.