SCHEMBL5187373

SCHEMBL5187373

OCCCn1cc(CCCCc2ccc(OCc3coc(C=Cc4ccc(OC(F)(F)F)cc4)n3)cc2)nn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.59
MINK1 Q8N4C8 1/20 0.59
ADRB2 P07550 4/20 0.36
CA9 Q16790 2/20 0.36
NCF1 P14598 5/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33

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
SCHEMBL5187361 1.00 ERBB2 (0.59) ERBB2MINK1ADRB2CA9NCF1
SCHEMBL5177983 0.96 ERBB2 (0.58) ERBB2MINK1ADRB2CA9TYR
SCHEMBL5177978 0.96 ERBB2 (0.58) ERBB2MINK1ADRB2CA9TYR
SCHEMBL24111968 0.90 ERBB2 (0.71) ERBB2MINK1ADRB2
SCHEMBL5186768 0.88 ERBB2 (0.54) ERBB2MINK1
SCHEMBL5186776 0.88 ERBB2 (0.54) ERBB2MINK1
SCHEMBL5187813 0.88 ERBB2 (0.54) ERBB2MINK1CA9
SCHEMBL5187823 0.88 ERBB2 (0.54) ERBB2MINK1CA9
SCHEMBL5186734 0.88 ERBB2 (0.59) ERBB2MINK1
SCHEMBL5186740 0.88 ERBB2 (0.59) ERBB2MINK1

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-1794155-A1 OXAZOLE DERIVATIVES AS HER TYROSINE KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-13 EP claimed
WO-2006032520-A1 OXAZOLE DERIVATIVES AS HER TYROSINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO claimed
EP-1794155-A1 OXAZOLE DERIVATIVES AS HER TYROSINE KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-13 EP disclosed
US-20060069095-A1 Azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 US disclosed
WO-2006032520-A1 OXAZOLE DERIVATIVES AS HER TYROSINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 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-20060069095-A1 Azole derivatives CYP3A5, CYP3A43, CYP11B1 ERBB2 2139/4885MINK1 2091/4885ADRB2 978/4885

“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.