SCHEMBL5263604

SCHEMBL5263604

O=C1CCC(=O)C1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TLR4 O00206 1/20 0.34
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL26828454 0.89 CA1 (0.50) MAPTKMT2ACA1CA2CA4
SCHEMBL26828471 0.86 CA1 (0.48) MAPTKMT2ACA1CA2CA4
SCHEMBL5336897 0.86 CA1 (0.40) MAPTKMT2ACA1CA2CA4
SCHEMBL26828509 0.84 CA1 (0.46) MAPTKMT2ACA1CA2CA4
SCHEMBL26828485 0.81 CA1 (0.37) MAPTKMT2ACA1CA2CA4
SCHEMBL7825990 0.71 CA1 (0.32) KMT2ACA1CA2CA4TRIM24
SCHEMBL20782083 0.70 MAPT (0.45) MAPTKMT2AALDH1A1
SCHEMBL22332018 0.70 MAPT (0.45) MAPTKMT2AALDH1A1
SCHEMBL25801478 0.70 MAPT (0.45) MAPTKMT2AALDH1A1
SCHEMBL1225809 0.69 KMT2A (0.50) MAPTKMT2ACA1CA2CA4

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 5 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
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 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 (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 MAPT 4805/4885KMT2A 3381/4885CA1 4444/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 MAPT 4784/4885KMT2A 3342/4885CA1 4559/4885

“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.