SCHEMBL4339388

SCHEMBL4339388

O=C(Nc1ccccc1)OCCc1cccc(CC(C(=O)O)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.62
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
RECQL P46063 1/20 0.58
TSHR P16473 1/20 0.52
ROCK2 O75116 1/20 0.49
CHRNA7 P36544 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL13810359 0.91 MGLL (0.58) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4328095 0.90 MGLL (0.51) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4336950 0.90 MGLL (0.51) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4341213 0.89 MEN1 (0.60) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4334130 0.88 LMNA (0.56) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4336281 0.87 FPR2 (0.51) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4337094 0.87 MGLL (0.54) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4341257 0.86 MGLL (0.60) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4341755 0.85 MGLL (0.54) MGLLNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL4339117 0.85 MGLL (0.54) MGLLNPC1RAB9ASMN1; SMN2RECQL

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 3539/4885NPC1 603/4885RAB9A 2956/4885

“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.