SCHEMBL4339926

SCHEMBL4339926

C#CCOc1cccc(CC(OC(C)C)C(=O)OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ACHE P22303 9/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
CASR P41180 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
GMPS P49915 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4336491 0.82 ALOX5 (0.43) MAPK1L3MBTL1TSHRTDP1PPARG
SCHEMBL13810945 0.82 L3MBTL1 (0.44) MAPK1L3MBTL1TSHRTDP1ACHE
SCHEMBL4338977 0.81 ACACB (0.36) MAPK1L3MBTL1TSHRTDP1ACHE
SCHEMBL4342513 0.80 PDE4B (0.43) L3MBTL1CASRPPARAALDH1A1
SCHEMBL4558827 0.79 TSHR (0.48) MAPK1L3MBTL1TSHRTDP1PPARG
SCHEMBL13085576 0.79 TSHR (0.48) MAPK1L3MBTL1TSHRTDP1PPARG
SCHEMBL13819365 0.79 TSHR (0.48) MAPK1L3MBTL1TSHRTDP1PPARG
SCHEMBL13810494 0.79 TSHR (0.48) MAPK1L3MBTL1TSHRTDP1PPARG
SCHEMBL13810477 0.79 TSHR (0.48) MAPK1L3MBTL1TSHRTDP1PPARG
SCHEMBL4332255 0.78 GRIA2 (0.42) MAPK1L3MBTL1TSHRTDP1PPARG

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 MAPK1 698/4885L3MBTL1 3856/4885TSHR 532/4885

“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.