SCHEMBL5259652

SCHEMBL5259652

CC(C)C1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL11585867 0.88 CA1 (0.39) TLR4L3MBTL1CA1CA2CA4
SCHEMBL12225359 0.81
SCHEMBL1494349 0.77 CRBN (0.42) L3MBTL1
SCHEMBL8716246 0.72 PRCP (0.47)
SCHEMBL25258771 0.71
SCHEMBL14085551 0.71 TLR4 (0.31) TLR4
SCHEMBL18556394 0.70 L3MBTL1 (0.39) L3MBTL1
SCHEMBL22559562 0.67 TLR4 (0.32) TLR4
SCHEMBL18997771 0.67 TLR4 (0.33) TLR4
SCHEMBL9709156 0.66 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141271-A1 OLIGOMER AND COMPOSITION INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2023-05-11 US disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
EP-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
US-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
EP-1332132-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2003-08-06 EP disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 US disclosed
WO-2001079173-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R & D LIMITED (GB) 2001-10-25 WO disclosed
US-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 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 (4 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-20230141271-A1 OLIGOMER AND COMPOSITION PCNA, ZYX, CCNB2 TLR4 2173/4885L3MBTL1 1474/4885CA1 2850/4885
US-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 TLR4 422/4885L3MBTL1 1768/4885CA1 4444/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 TLR4 340/4885L3MBTL1 1385/4885CA1 4559/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 TLR4 778/4885L3MBTL1 2981/4885CA1 4560/4885

“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.