SCHEMBL6554030

SCHEMBL6554030

COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)/C=C/c1ccc(-c2nc3c(=O)n(Cc4cccc(F)c4)c(=O)n(Cc4cccc(F)c4)c3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.43
▸ ALOX5 P09917 1/20 0.41
▸ ADORA3 P0DMS8 4/20 0.39
▸ ADORA2A P29274 5/20 0.36
▸ ADORA1 P30542 5/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ GPR183 P32249 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34

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
SCHEMBL6049659 0.91 ADORA2B (0.43) ADORA2BADORA3ADORA2AADORA1MAPT
SCHEMBL6049595 0.91 ADORA2B (0.52) ADORA2BADORA3ADORA2AADORA1MAPT
SCHEMBL6553692 0.87 ADORA2B (0.43) ADORA2BADORA3ADORA2AADORA1GLA
SCHEMBL6553594 0.87 ADORA2B (0.40) ADORA2BALOX5ADORA3ADORA2AADORA1
SCHEMBL17691164 0.85 ADORA2B (0.44) ADORA2BALOX5ADORA3ADORA2AADORA1
SCHEMBL6049598 0.85 ADORA2B (0.44) ADORA2BALOX5ADORA3ADORA2AADORA1
SCHEMBL6553600 0.84 ADORA2B (0.59) ADORA2BADORA3ADORA2AADORA1MAPT
SCHEMBL6553611 0.84 ADORA2B (0.59) ADORA2BADORA3ADORA2AADORA1MAPT
SCHEMBL6555742 0.84 ADORA2B (0.38) ADORA2BADORA3ADORA2AADORA1GRIN1
SCHEMBL6049631 0.83 ADORA2B (0.45) ADORA2BALOX5ADORA3ADORA2AADORA1

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-20040034020-A1 Methods of treating periodontal disease DALUGE SUSAN MARY (US) 2004-02-19 — — US claimed
EP-1104422-B1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-02-18 — — EP 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-20040034020-A1 Methods of treating periodontal disease MMP8, LPO, PTGES3 ADORA2B 680/4885ALOX5 129/4885ADORA3 730/4885

“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.

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