SCHEMBL2041867

SCHEMBL2041867

CCCCCCC(C=O)CC=CCC=CCCCCCC=C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 5/20 0.46
PPARG P37231 5/20 0.46
F7 P08709 4/20 0.46
F3 P13726 4/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 4/20 0.46
FFAR1 O14842 4/20 0.46
KDM4E B2RXH2 4/20 0.46
FFAR4 Q5NUL3 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP19A1 P11511 2/20 0.46
FABP4 P15090 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
PTGS1 P23219 2/20 0.46
AKR1C3 P42330 2/20 0.46

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
SCHEMBL2049110 0.87 EP300 (0.44) PPARGF7F3PPARDPPARA
SCHEMBL2046266 0.86 EP300 (0.50) PPARDFFAR1FFAR4LMNAFABP4
SCHEMBL2048113 0.86 EP300 (0.50) PPARDFFAR1FFAR4LMNAFABP4
SCHEMBL2045459 0.86 EP300 (0.50) PPARDFFAR1FFAR4LMNAFABP4
SCHEMBL2042186 0.86 EP300 (0.50) PPARDFFAR1FFAR4LMNAFABP4
SCHEMBL1834980 0.85 TRPV1 (0.53) NFKB1NFKB2RELAALDH1A1PPARG
SCHEMBL2042998 0.84 EP300 (0.49) PPARGPPARDFFAR1FFAR4TSHR
SCHEMBL12630610 0.84 ALDH1A1 (0.62) ALDH1A1PPARGF7F3PPARD
SCHEMBL1404387 0.84 ALDH1A1 (0.62) ALDH1A1PPARGF7F3PPARD
SCHEMBL1903045 0.82 ALDH1A1 (0.51) NFKB1NFKB2RELAALDH1A1PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144267-A1 FUNCTIONALIZED (METH)ACRYLATE MONOMER, POLYMER, COATING AGENT, AND PRODUCTION AND CROSS-LINKING METHOD EVONIK ROEHM GMBH (DE) 2011-06-16 US 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-20110144267-A1 FUNCTIONALIZED (METH)ACRYLATE MONOMER, POLYMER, COATING AGENT, AND PRODUCTION AND CROSS-LINKING METHOD DNMT1, TET1, MGMT NFKB1 3487/4885NFKB2 3319/4885RELA 2712/4885

“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.