SCHEMBL6324398

SCHEMBL6324398

COc1ccc([C@@H]2[C@H](CC(=O)O)C2(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.47
ITGAV P06756 2/20 0.47
ITGB5 P18084 1/20 0.47
ITGB6 P18564 1/20 0.47
EDNRA P25101 2/20 0.41
EDNRB P24530 1/20 0.41
MIF P14174 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40
HSD11B1 P28845 1/20 0.40
PDE4B Q07343 1/20 0.40
FFAR1 O14842 1/20 0.39
LDHA P00338 1/20 0.39

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
SCHEMBL6325205 1.00 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB6EDNRA
SCHEMBL6324394 1.00 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB6EDNRA
SCHEMBL6320804 0.83 MAPT (0.48) ITGB3ITGAVITGB6EDNRAEDNRB
SCHEMBL6318635 0.83 ITGB3 (0.46) ITGB3ITGAVITGB5ITGB6EDNRA
SCHEMBL6324815 0.82 ITGB3 (0.53) ITGB3ITGAVITGB5ITGB6ALDH1A1
SCHEMBL6326443 0.82 ITGB3 (0.42) ITGB3ITGAVITGB5ITGB6MIF
SCHEMBL6319856 0.82 ITGB3 (0.42) ITGB3ITGAVITGB5ITGB6MIF
SCHEMBL6321357 0.82 ITGB3 (0.42) ITGB3ITGAVITGB5ITGB6MIF
SCHEMBL6322965 0.80 ALDH1A1 (0.41) CA1CA2ALDH1A1GAAKDM4E
SCHEMBL6317160 0.76 EDNRA (0.47) EDNRAEDNRBCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 6/4885ITGB5 2/4885

“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.