SCHEMBL4329430

SCHEMBL4329430

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)OCCc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.40
PPARG P37231 5/20 0.40
PPARD Q03181 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F10 P00742 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 3/20 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
SCHEMBL4335087 0.91 KMT2A (0.41) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL4337150 0.91 SMN1; SMN2 (0.41) PPARAPPARGPPARDL3MBTL1ATM
SCHEMBL4337947 0.90 PPARA (0.42) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL4327529 0.90 MAPT (0.42) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL4336608 0.85 PPARG (0.42) PPARAPPARGPPARDL3MBTL1ATM
SCHEMBL4335108 0.83 L3MBTL1 (0.42) PPARAPPARGPPARDL3MBTL1MAPT
SCHEMBL4332405 0.83 SMN1; SMN2 (0.43) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL4335802 0.83 SMN1; SMN2 (0.43) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL4328087 0.82 KMT2A (0.44) PPARAHDAC8L3MBTL1MAPTMEN1
SCHEMBL4333413 0.82 BLM (0.42) PPARAPPARGPPARDATMMAPT

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.