SCHEMBL4332465

SCHEMBL4332465

CCOC(=O)C(Cc1cccc(C#CCO)c1)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.39
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
PTGES O14684 4/20 0.34
MMP8 P22894 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL4341960 0.90 ACACB (0.39) ACACBPPARGPPARAPPARDL3MBTL1
SCHEMBL4339684 0.88 ACACB (0.40) ACACBPPARGPPARAPPARDL3MBTL1
SCHEMBL4338977 0.87 ACACB (0.36) ACACBPPARGPPARAL3MBTL1LMNA
SCHEMBL4333099 0.86 ACACB (0.46) ACACBPPARGPPARAPTGES
SCHEMBL13810013 0.85 GABRA1 (0.39) ACACBPPARGPPARAPPARDL3MBTL1
SCHEMBL4329899 0.81 MMP8 (0.39) PPARGPPARAL3MBTL1LMNAMMP8
SCHEMBL4332596 0.79 CYP4F2 (0.45) PPARGPPARAL3MBTL1LMNAMMP8
SCHEMBL4332255 0.79 GRIA2 (0.42) PPARGPPARAL3MBTL1LMNAMMP8
SCHEMBL4332258 0.79 GRIA2 (0.42) PPARGPPARAL3MBTL1LMNAMMP8
SCHEMBL4334347 0.78 SMN1; SMN2 (0.40) L3MBTL1LMNAMMP8TSHRMAPK1

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 4 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-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 ACACB 1212/4885PPARG 379/4885PPARA 339/4885

“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.