SCHEMBL4329938

SCHEMBL4329938

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
MDH1 P40925 1/20 0.50
MDH2 P40926 1/20 0.50
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.45
HIF1A Q16665 2/20 0.45
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL4333407 0.92 PPARA (0.47) KMT2AMEN1HTTSMN1; SMN2MDH1
SCHEMBL4336292 0.92 PPARA (0.58) KMT2AMEN1HTTMDH1MDH2
SCHEMBL4342104 0.85 PPARA (0.44) KMT2AMEN1HTTSMN1; SMN2PPARA
SCHEMBL4345878 0.84 PPARA (0.50) KMT2APPARAPPARGPPARDALDH1A1
SCHEMBL4336619 0.82 HIF1A (0.61) KMT2AMEN1SMN1; SMN2MDH1MDH2
SCHEMBL4341834 0.82 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL4336526 0.81 PPARG (0.45) KMT2AMEN1HTTSMN1; SMN2PPARA
SCHEMBL4337069 0.80 PPARG (0.46) KMT2AMEN1SMN1; SMN2PPARAPPARG
SCHEMBL4337189 0.80 MAPT (0.52) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL4339104 0.78 PPARA (0.45) SMN1; SMN2PPARAPPARGPPARDALDH1A1

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 KMT2A 2774/4885MEN1 4091/4885HTT 3749/4885

“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.