SCHEMBL6320804

SCHEMBL6320804

COc1ccc(C2C(CC(=O)O)C2(Cl)Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB6 P18564 1/20 0.46
EDNRA P25101 2/20 0.40
EDNRB P24530 1/20 0.40
MIF P14174 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RAB9A P51151 1/20 0.39
HSD11B1 P28845 1/20 0.39
PDE4B Q07343 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
SCHEMBL6324398 0.83 ITGB3 (0.47) MAPTITGB3ITGAVITGB6EDNRA
SCHEMBL6325205 0.83 ITGB3 (0.47) MAPTITGB3ITGAVITGB6EDNRA
SCHEMBL6324394 0.83 ITGB3 (0.47) MAPTITGB3ITGAVITGB6EDNRA
SCHEMBL6318635 0.82 ITGB3 (0.46) MAPTITGB3ITGAVITGB6EDNRA
SCHEMBL6317159 0.81 ITGB3 (0.42) ITGB3ITGAVITGB6MIFKDM4E
SCHEMBL6318399 0.78 MAPT (0.41) MAPTMEN1KMT2AHPGDKDM4E
SCHEMBL18146721 0.76 MAPT (0.62) MAPTEDNRAEDNRBMEN1KMT2A
SCHEMBL18146718 0.76 MAPT (0.62) MAPTEDNRAEDNRBMEN1KMT2A
SCHEMBL18146719 0.76 MAPT (0.62) MAPTEDNRAEDNRBMEN1KMT2A
SCHEMBL8845428 0.74 CA1 (0.50) MAPTMEN1KMT2AHPGDKDM4E

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 MAPT 4499/4885ITGB3 3/4885ITGAV 6/4885

“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.