SCHEMBL9975313

SCHEMBL9975313

C/C(=N\OCCNC1CCOCC1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL9975280 0.89 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL6979441 0.85 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL6976911 0.84 OPRL1 (0.33) KDM4EOPRL1
SCHEMBL6959221 0.80
SCHEMBL6978880 0.72 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL15304811 0.71 CYP1A2 (0.35) KDM4EALDH1A1
SCHEMBL6959092 0.71 KDM4E (0.46) KDM4EALDH1A1
SCHEMBL5012078 0.70 KDM4E (0.39) KDM4EALDH1A1OPRL1
SCHEMBL13814700 0.70
SCHEMBL6976181 0.70

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-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 KDM4E 2805/4885ALDH1A1 4593/4885OPRL1 394/4885

“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.