SCHEMBL4328684

SCHEMBL4328684

COc1ccc(COC(=O)Nc2ccc(CC(OC(C)C)C(=O)O)cc2OC)cc1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PPARG P37231 3/20 0.39
MMP1 P03956 7/20 0.38
KMT2A Q03164 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
AAK1 Q2M2I8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR1 P25103 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
SCHEMBL4482826 0.89 ALDH1A1 (0.41) LDHARAB9APPARGMMP1KMT2A
SCHEMBL4334930 0.88 PPARG (0.46) LDHAPPARGKMT2APPARAPPARD
SCHEMBL4329951 0.87 PTGDR2 (0.39) LDHANPC1RAB9APPARGMMP1
SCHEMBL4341704 0.87 GAA (0.49) LDHAPPARGMMP1KMT2APPARA
SCHEMBL4328989 0.87 MGLL (0.43) PPARGKMT2ASMN1; SMN2
SCHEMBL4328226 0.85 MMP1 (0.44) RAB9APPARGMMP1KMT2APPARA
SCHEMBL4339373 0.85 PPARA (0.48) PPARGMMP1KMT2APPARAPPARD
SCHEMBL4332390 0.84 KMT2A (0.48) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4333270 0.84 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL4335259 0.83 HTR1B (0.40) LDHAPPARGKMT2APPARAPPARD

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 LDHA 745/4885NPC1 603/4885RAB9A 2956/4885

“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.