SCHEMBL4773408

SCHEMBL4773408

[O]CCCC1(O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 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
SCHEMBL4774527 0.84 CYP2C19 (0.36) CYP2C19
SCHEMBL596112 0.84 CYP2C19 (0.34) CYP2C19
SCHEMBL596917 0.84 CYP2C19 (0.34) CYP2C19
SCHEMBL596129 0.81 CYP2C19 (0.33) CYP2C19
SCHEMBL596557 0.81 CYP2C19 (0.33) CYP2C19
SCHEMBL9654521 0.79 RYR2 (0.33) CYP2C19
SCHEMBL595778 0.78 CYP2C19 (0.37) CYP2C19
SCHEMBL110368 0.77 CYP4F2 (0.34) CYP2C19
SCHEMBL196725 0.75 OPRM1 (0.42) CYP2C19
SCHEMBL338696 0.75 CYP4F2 (0.41) CYP2C19

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
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1575963-B1 ANTI-ANGIOGENETIC THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20060069109-A1 Therapeutic agents ASTRAZENECA AB (SE) 2006-03-30 US disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 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 (2 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-20060069109-A1 Therapeutic agents TIE1, TEK, KDR CYP2C19 2201/4885
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR CYP2C19 1787/4885

“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.