SCHEMBL4332249

SCHEMBL4332249

COc1ccc(CC(OC(C)C)C(=O)O)cc1OCC#Cc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.45
LDHA P00338 1/20 0.41
PPARA Q07869 7/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 3/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL4334917 0.88 MMP1 (0.49) MMP1LDHAPPARAPPARGPPARD
SCHEMBL4340797 0.85 LDHA (0.43) MMP1LDHAPPARAPPARGPPARD
SCHEMBL4341964 0.83 MMP1 (0.50) MMP1LDHAPPARAMRGPRX4PPARG
SCHEMBL4332268 0.83 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL4340272 0.83 MMP1 (0.44) MMP1LDHAPPARAPPARGPPARD
SCHEMBL4332264 0.83 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL13819358 0.82 HDAC8 (0.54) MMP1LDHAPPARAMRGPRX4PPARG
SCHEMBL4327981 0.81 PPARA (0.50) PPARAMRGPRX4PPARGPPARDPTGDR2
SCHEMBL4327978 0.81 PPARA (0.50) PPARAMRGPRX4PPARGPPARDPTGDR2
SCHEMBL4340041 0.81 PPARA (0.46) MMP1LDHAPPARAPPARGPPARD

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 MMP1 1890/4885LDHA 745/4885PPARA 339/4885

“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.