SCHEMBL5259791

SCHEMBL5259791

O=C1CCC(=O)C1C1=CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
TLR4 O00206 1/20 0.38
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GSTP1 P09211 1/20 0.30
TYMP P19971 1/20 0.30

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
SCHEMBL2392910 0.74 KDM1A (0.48) KDM1A
SCHEMBL130772 0.72 TLR4 (0.56) KDM1ATLR4TYMP
SCHEMBL9278172 0.71 KDM1A (0.50) KDM1AHDAC4HDAC2HDAC8HDAC6
SCHEMBL14694072 0.70 KDM1A (0.44) KDM1ATLR4HDAC4HDAC2HDAC8
SCHEMBL10258695 0.70 KDM1A (0.44) KDM1ATLR4HDAC4HDAC2HDAC8
SCHEMBL29142093 0.70 KDM1A (0.44) KDM1ATLR4HDAC4HDAC2HDAC8
SCHEMBL9689007 0.70 KDM1A (0.44) KDM1A
SCHEMBL5668812 0.69
SCHEMBL30130600 0.68 TLR4 (0.56) KDM1ATLR4
SCHEMBL20845463 0.68 KDM1A (0.47) KDM1ATLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 KDM1A 2710/4885TLR4 422/4885HDAC4 1366/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 KDM1A 2596/4885TLR4 340/4885HDAC4 1383/4885

“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.