SCHEMBL4334960

SCHEMBL4334960

COc1ccc(CC(C(=O)O)C(=O)O)cc1CCOC(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
LDHA P00338 1/20 0.52
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
MGLL Q99685 1/20 0.46
PPARA Q07869 5/20 0.45
PPARD Q03181 3/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 3/20 0.44
FPR2 P25090 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
PPARG P37231 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL13810393 0.94 NPSR1 (0.54) NPSR1LDHALMNATP53NPC1
SCHEMBL4331610 0.91 LDHA (0.50) NPSR1LDHALMNATP53NPC1
SCHEMBL4331833 0.91 LDHA (0.50) NPSR1LDHALMNATP53SMN1; SMN2
SCHEMBL4339140 0.91 MTNR1B (0.47) NPSR1LDHALMNATP53NPC1
SCHEMBL4329956 0.90 CNR1 (0.49) NPSR1LDHASMN1; SMN2PPARAPPARD
SCHEMBL4340426 0.89 LDHA (0.54) NPSR1LDHALMNANPC1RAB9A
SCHEMBL4337850 0.88 PPARA (0.59) LDHAPPARAPPARDPPARG
SCHEMBL4334226 0.88 NPSR1 (0.49) NPSR1LMNATP53NPC1RAB9A
SCHEMBL4336851 0.86 LDHA (0.47) NPSR1LDHALMNANPC1RAB9A
SCHEMBL13810395 0.85 EPHX2 (0.46) NPSR1LDHANPC1RAB9ASMN1; 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 NPSR1 502/4885LDHA 745/4885LMNA 3790/4885

“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.