SCHEMBL4339130

SCHEMBL4339130

COc1ccc(CC(OC(C)C)C(=O)O)cc1OCC#Cc1cc(C)cc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
PPARA Q07869 4/20 0.41
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
MMP1 P03956 13/20 0.41
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
MMP13 P45452 2/20 0.40
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL4343548 0.92 PPARA (0.45) LDHAPPARAPPARGPPARDMMP1
SCHEMBL4333307 0.92 LDHA (0.44) LDHAPPARAPPARGPPARDMMP1
SCHEMBL4340041 0.88 PPARA (0.46) LDHAPPARAPPARGPPARDMMP1
SCHEMBL4334917 0.87 MMP1 (0.49) LDHAPPARAPPARGPPARDMMP1
SCHEMBL4333212 0.87 MMP1 (0.49) LDHAPPARAPPARGPPARDMMP1
SCHEMBL4339284 0.87 MMP1 (0.47) LDHAPPARAPPARGPPARDMMP1
SCHEMBL4340797 0.86 LDHA (0.43) LDHAPPARAPPARGPPARDMMP1
SCHEMBL4336751 0.86 MMP1 (0.44) LDHAPPARAPPARGPPARDMMP1
SCHEMBL4339678 0.86 PPARA (0.46) LDHAPPARAPPARGPPARDMMP1
SCHEMBL4338089 0.85 PPARG (0.45) LDHAPPARAPPARGPPARDMMP1

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 LDHA 745/4885PPARA 339/4885PPARG 379/4885

“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.