SCHEMBL4330032

SCHEMBL4330032

CC(C)O[C@@H](Cc1cccc(OC[C@H](O)COc2ccc(Cl)cc2C#N)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.42
PPARG P37231 6/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARD Q03181 2/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CASR P41180 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37

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
SCHEMBL4328397 1.00 PPARA (0.42) PPARAPPARGMEN1KMT2APPARD
SCHEMBL2867578 1.00 PPARA (0.42) PPARAPPARGMEN1KMT2APPARD
SCHEMBL4327670 0.92 PPARA (0.42) PPARAPPARGPPARDXDHSLC22A12
SCHEMBL4339362 0.92 PPARA (0.42) PPARAPPARGPPARDXDHSLC22A12
SCHEMBL2866321 0.92 PPARA (0.42) PPARAPPARGPPARDXDHSLC22A12
SCHEMBL13085577 0.91 CYP2D6 (0.39) MEN1KMT2AXDHSLC22A12TAAR1
SCHEMBL13085606 0.91 CYP2D6 (0.39) MEN1KMT2AXDHSLC22A12TAAR1
SCHEMBL4334556 0.90 PPARA (0.46) PPARAPPARGPPARDXDHSLC22A12
SCHEMBL13091613 0.90 MEN1 (0.41) MEN1KMT2AXDHTAAR1SLC6A2
SCHEMBL4340686 0.89 AAK1 (0.42) PPARAPPARGPPARDXDHSLC22A12

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 8 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 claimed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US claimed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP claimed
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 379/4885MEN1 4091/4885

“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.