SCHEMBL4340686

SCHEMBL4340686

CC(C)OC(Cc1cccc(OCC(O)COc2ccc(Br)cc2C#N)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.42
XDH P47989 3/20 0.38
SLC22A12 Q96S37 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 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
ADRB1 P08588 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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 0.89 PPARA (0.42) XDHSLC22A12PPARGPPARDPPARA
SCHEMBL4330032 0.89 PPARA (0.42) XDHSLC22A12PPARGPPARDPPARA
SCHEMBL2867578 0.89 PPARA (0.42) XDHSLC22A12PPARGPPARDPPARA
SCHEMBL4334795 0.86 PPARG (0.40) AAK1PPARGPPARDPPARAKDM4E
SCHEMBL4329073 0.86 FFAR1 (0.37) PPARGPPARDPPARA
SCHEMBL4334218 0.85 PPARG (0.49) PPARGPPARDPPARAKDM4E
SCHEMBL4334214 0.85 PPARG (0.49) PPARGPPARDPPARAKDM4E
SCHEMBL4334110 0.85 PPARG (0.49) PPARGPPARDPPARAKDM4E
SCHEMBL4341859 0.84 TRPV4 (0.42) PPARGPPARDPPARA
SCHEMBL4346174 0.83 GPR34 (0.45) PPARGPPARDPPARA

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 AAK1 2608/4885XDH 135/4885SLC22A12 1774/4885

“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.