SCHEMBL4331610

SCHEMBL4331610

COc1ccc(CC(C(=O)O)C(=O)O)cc1CCOC(=O)Nc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
PPARA Q07869 4/20 0.47
PPARD Q03181 2/20 0.47
PPARG P37231 1/20 0.47
EPHX2 P34913 1/20 0.46
THRB P10828 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
FPR2 P25090 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL13810395 0.94 EPHX2 (0.46) LDHAPPARAPPARDPPARGEPHX2
SCHEMBL4331833 0.92 LDHA (0.50) LDHAPPARAPPARDNPSR1ALDH1A1
SCHEMBL4334960 0.91 NPSR1 (0.55) LDHAPPARAPPARDPPARGNPSR1
SCHEMBL4329956 0.91 CNR1 (0.49) LDHAPPARAPPARDPPARGNPSR1
SCHEMBL4340268 0.89 LDHA (0.52) LDHAPPARAPPARDPPARGEPHX2
SCHEMBL4341195 0.88 PPARA (0.43) LDHAPPARAPPARDPPARGEPHX2
SCHEMBL4337850 0.88 PPARA (0.59) LDHAPPARAPPARDPPARG
SCHEMBL13810393 0.86 NPSR1 (0.54) LDHAPPARAPPARDPPARGNPSR1
SCHEMBL13810397 0.85 TP53 (0.47) LDHAPPARAPPARDPPARGNPSR1
SCHEMBL4339140 0.85 MTNR1B (0.47) LDHATHRBNPSR1ALDH1A1SMN1; 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 LDHA 745/4885PPARA 339/4885PPARD 753/4885

“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.