SCHEMBL4334936

SCHEMBL4334936

COc1ccc(CC(OC(C)C)C(=O)O)cc1CCOC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.49
PPARG P37231 7/20 0.49
PPARD Q03181 6/20 0.49
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.44
RAB9A P51151 1/20 0.44
CRHR2 Q13324 1/20 0.44
MCHR1 Q99705 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
NPY5R Q15761 2/20 0.40
TSHR P16473 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
SCHEMBL4333076 0.93 LMNA (0.45) PPARAPPARGPPARDHPGDNPC1
SCHEMBL4334226 0.93 NPSR1 (0.49) PPARAPPARGPPARDNPC1RAB9A
SCHEMBL4341195 0.89 PPARA (0.43) PPARAPPARGPPARDNPC1RAB9A
SCHEMBL4329663 0.89 LMNA (0.43) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL4332223 0.88 CNR1 (0.45) PPARAPPARGPPARDSMN1; SMN2NPSR1
SCHEMBL4329916 0.88 MMP1 (0.43) PPARAPPARGPPARDSMN1; SMN2NPSR1
SCHEMBL4336960 0.86 LMNA (0.44) PPARAPPARGPPARDHPGDNPC1
SCHEMBL4335128 0.86 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL4328950 0.84 MAPT (0.48) PPARAPPARGPPARDHPGDNPC1
SCHEMBL4336402 0.84 PPARG (0.44) PPARAPPARGNPC1RAB9ASMN1; 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 5 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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
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 PPARA 339/4885PPARG 379/4885PPARD 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.