SCHEMBL3430945

SCHEMBL3430945

[O]CCN(CCO)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
ADH1A P07327 4/20 0.31
ADH1C P00326 2/20 0.31
CYP2D6 P10635 3/20 0.31
CYP1A2 P05177 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
CYP2C9 P11712 2/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3431246 0.98 LTA4H (0.35) LTA4HADH1AADH1CCYP2D6CYP1A2
SCHEMBL3429367 0.98 LTA4H (0.31) LTA4HOPRM1OPRD1OPRK1
SCHEMBL3429609 0.91
SCHEMBL522366 0.89 LTA4H (0.37) LTA4HADH1AADH1CCYP2D6CYP1A2
SCHEMBL3426357 0.88 LTA4H (0.32) LTA4H
SCHEMBL3429318 0.88 EPHX1 (0.32)
SCHEMBL79285 0.86 LTA4H (0.39) LTA4HADH1AADH1CCYP2D6CYP1A2
SCHEMBL6567107 0.86 LTA4H (0.39) LTA4HADH1AADH1CCYP2D6CYP1A2
SCHEMBL3429371 0.86 OPRM1 (0.35) LTA4HCYP2D6CYP1A2OPRM1OPRD1
SCHEMBL3426017 0.85 LTA4H (0.30) LTA4H

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-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 LTA4H 3097/4885ADH1A 1197/4885ADH1C 2007/4885

“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.