SCHEMBL4331747

SCHEMBL4331747

CC(C)OC(Cc1cn(C)c2ccc(OCC(O)COc3ccc(C(C)(C)C)cc3)cc12)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.42
HTR1D P28221 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL4329911 0.89 PLA2G4A (0.44) PPARGPPARAPPARDLMNAMTNR1A
SCHEMBL4341174 0.86 PPARG (0.38) PPARGPPARAMEN1KMT2ALMNA
SCHEMBL4342749 0.85 PLA2G4A (0.42) PPARGPPARAPPARDKMT2ALMNA
SCHEMBL4335047 0.84 PLA2G4A (0.38) PPARGPPARAMAPTHSD17B10MTNR1A
SCHEMBL4341738 0.84 KMT2A (0.39) PPARGPPARAMEN1KMT2AMAPT
SCHEMBL13819541 0.84 PLA2G4A (0.36) KMT2ALMNAMTNR1AMTNR1BNQO2
SCHEMBL4333190 0.83 TP53 (0.37) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4337058 0.82 PLA2G4A (0.41) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL4343659 0.82 PLA2G4A (0.41) PPARGPPARAMEN1KMT2ALMNA
SCHEMBL4339112 0.82 MRGPRX4 (0.36) MTNR1AMTNR1BNQO2PLA2G4AMCL1

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 PPARG 379/4885PPARA 339/4885PPARD 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.