SCHEMBL6001905

SCHEMBL6001905

COC(=O)CCCCC(O)/C=C/c1ccccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FPR2 P25090 2/20 0.39
PPARA Q07869 2/20 0.39
NFE2L2 Q16236 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.34
PTGER3 P43115 2/20 0.34
TBXAS1 P24557 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34

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
SCHEMBL3596181 0.89 PTGER4 (0.37) PPARGALDH1A1LMNAPTGER4
SCHEMBL3596185 0.89 PTGER4 (0.37) PPARGALDH1A1LMNAPTGER4
SCHEMBL7605223 0.85 TRPA1 (0.38) PPARGNFKB1NFKB2RELAFPR2
SCHEMBL7605227 0.85 TRPA1 (0.38) PPARGNFKB1NFKB2RELAFPR2
SCHEMBL3605646 0.83 NFE2L2 (0.51) NFE2L2ALDH1A1KMT2ABACE1LMNA
SCHEMBL3605647 0.83 NFE2L2 (0.51) NFE2L2ALDH1A1KMT2ABACE1LMNA
SCHEMBL3600337 0.77 PPARG (0.43) PPARGPPARALMNA
SCHEMBL6001910 0.77 PPARG (0.53) PPARGPPARA
SCHEMBL589128 0.74 LY96 (0.36) NFKB1NFKB2RELAFPR2ALDH1A1
SCHEMBL589127 0.74 LY96 (0.36) NFKB1NFKB2RELAFPR2ALDH1A1

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-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
EP-1655280-A1 Dicarboxylic acid derivates with pharmaceutical properties Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA PPARG 206/4885NFKB1 1054/4885NFKB2 1612/4885

“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.