SCHEMBL4335259

SCHEMBL4335259

COc1cc(CC(OC(C)C)C(=O)O)ccc1NC(=O)OCc1ccc2occc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.40
MAOB P27338 1/20 0.37
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
PPARD Q03181 4/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
LDHA P00338 1/20 0.35
TACR3 P29371 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4333328 0.85 HTR1B (0.41) HTR1BPPARGPPARAPPARDTAS1R3
SCHEMBL4340006 0.84 MGLL (0.44) HTR1BPPARGPPARAPPARD
SCHEMBL4328684 0.83 LDHA (0.41) PPARGPPARAPPARDLDHAKMT2A
SCHEMBL4482826 0.83 ALDH1A1 (0.41) PPARGPPARAPPARDLDHAMEN1
SCHEMBL4329951 0.83 PTGDR2 (0.39) PPARGPPARALDHAMEN1KMT2A
SCHEMBL4341704 0.82 GAA (0.49) PPARGPPARAPPARDLDHAMEN1
SCHEMBL4332390 0.81 KMT2A (0.48) MEN1KMT2ATP53
SCHEMBL4328226 0.80 MMP1 (0.44) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL4339373 0.80 PPARA (0.48) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL4333270 0.80 ALDH1A1 (0.47) TAS1R3TAS1R1TACR3TP53

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 3 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-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 HTR1B 1677/4885MAOB 2932/4885PPARG 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.