SCHEMBL4342104

SCHEMBL4342104

COc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.44
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL4339104 0.91 PPARA (0.45) PPARAPPARGPPARDTSHRALDH1A1
SCHEMBL4329938 0.85 KMT2A (0.52) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL4328049 0.82 ALDH1A1 (0.48) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL4335183 0.81 PPARA (0.42) PPARAPPARGPPARDMAPTSMN1; SMN2
SCHEMBL4343560 0.80 MAPT (0.57) PPARAMEN1KMT2ATSHRHTT
SCHEMBL4341834 0.78 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL4336292 0.77 PPARA (0.58) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL4333407 0.77 PPARA (0.47) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5356968 0.73 PPARA (0.54) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5356972 0.73 PPARA (0.54) PPARAPPARGPPARDMEN1KMT2A

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.