SCHEMBL4336950

SCHEMBL4336950

O=C(Nc1ccc(Cl)cc1)OCCc1cccc(CC(C(=O)O)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
CNR1 P21554 7/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL13810372 0.91 CNR1 (0.49) MGLLCNR1NPC1RAB9ASMN1; SMN2
SCHEMBL4339388 0.90 MGLL (0.62) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4341213 0.89 MEN1 (0.60) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4328095 0.88 MGLL (0.51) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4341927 0.88 MEN1 (0.53) MGLLNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4334130 0.86 LMNA (0.56) MGLLCNR1NPC1RAB9ASMN1; SMN2
SCHEMBL4338993 0.86 MGLL (0.45) MGLLCNR1NPC1RAB9ASMN1; SMN2
SCHEMBL4348243 0.86 PPARG (0.51) MGLLCNR1L3MBTL1
SCHEMBL4327937 0.85 MAPT (0.47) MGLLNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4336281 0.85 FPR2 (0.51) MGLLCNR1NPC1RAB9ASMN1; SMN2

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 MGLL 3539/4885CNR1 75/4885NPC1 603/4885

“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.