SCHEMBL4336981

SCHEMBL4336981

COc1ccc(CC(OC(C)C)C(=O)O)cc1OCC#Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.46
PPARG P37231 9/20 0.46
PPARD Q03181 6/20 0.46
MMP1 P03956 2/20 0.46
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.42
FFAR1 O14842 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
LDHA P00338 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
SCHEMBL4339284 0.93 MMP1 (0.47) PPARAPPARGPPARDMMP1LDHA
SCHEMBL4338089 0.88 PPARG (0.45) PPARAPPARGPPARDMMP1LDHA
SCHEMBL4343548 0.87 PPARA (0.45) PPARAPPARGPPARDMMP1FFAR1
SCHEMBL4336751 0.87 MMP1 (0.44) PPARAPPARGPPARDMMP1LDHA
SCHEMBL4339678 0.87 PPARA (0.46) PPARAPPARGPPARDMMP1FFAR1
SCHEMBL4339113 0.86 PPARA (0.51) PPARAPPARGPPARDKDM4EMAPT
SCHEMBL4333212 0.84 MMP1 (0.49) PPARAPPARGPPARDMMP1FFAR1
SCHEMBL13819359 0.84 KDM4E (0.52) PPARAPPARGPPARDMMP1KDM4E
SCHEMBL4339130 0.83 LDHA (0.44) PPARAPPARGPPARDMMP1LDHA
SCHEMBL4333307 0.83 LDHA (0.44) PPARAPPARGPPARDMMP1LDHA

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 4 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-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.