SCHEMBL6177620

SCHEMBL6177620

COc1ccc(CC2CC2CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.56
LDHA P00338 1/20 0.46
MIF P14174 1/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CA12 O43570 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL15061180 0.79 CA1 (0.67) FFAR4LDHACA1CA2CA9
SCHEMBL2435013 0.76 HTR2C (0.59) MIFFFAR1
SCHEMBL13970345 0.74 IDO1 (0.47) CA1CA2CA9CA12ALDH1A1
SCHEMBL18432404 0.74 LDHA (0.45) LDHAMIFFFAR1KDM4EPOLB
SCHEMBL17592825 0.73 FFAR4 (1.00) FFAR4
SCHEMBL19307375 0.73 FFAR4 (1.00) FFAR4
SCHEMBL21216039 0.72 CA1 (0.70) CA1CA2CA9CA12ALDH1A1
SCHEMBL2432949 0.72 CA1 (0.70) CA1CA2CA9CA12ALDH1A1
SCHEMBL15915586 0.72 CYP2D6 (0.64) ALDH1A1
SCHEMBL17592524 0.71 HPGD (0.41) ALDH1A1HPGD

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-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
CN-1299282-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2001-06-13 CN disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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 (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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR FFAR4 419/4885LDHA 3911/4885MIF 1330/4885

“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.