SCHEMBL3431246

SCHEMBL3431246

[O]CCN(CCO)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
ADH1A P07327 5/20 0.33
CYP2D6 P10635 4/20 0.33
CYP2C9 P11712 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2A P08913 1/20 0.32
PDE4A P27815 1/20 0.32
ADRA1A P35348 1/20 0.32
ADH1C P00326 3/20 0.31
FDPS P14324 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3430945 0.98 LTA4H (0.33) LTA4HADH1ACYP2D6CYP2C9HSD17B10
SCHEMBL3429367 0.96 LTA4H (0.31) LTA4H
SCHEMBL3429609 0.89
SCHEMBL6567107 0.89 LTA4H (0.39) LTA4HADH1ACYP2D6CYP2C9HSD17B10
SCHEMBL79285 0.89 LTA4H (0.39) LTA4HADH1ACYP2D6CYP2C9HSD17B10
SCHEMBL11787675 0.87 LTA4H (0.38) LTA4HADH1ACYP2D6CYP2C9HSD17B10
SCHEMBL9320360 0.87 LTA4H (0.38) LTA4HADH1ACYP2D6CYP2C9HSD17B10
SCHEMBL522366 0.87 LTA4H (0.37) LTA4HADH1ACYP2D6CYP2C9HSD17B10
SCHEMBL3426357 0.86 LTA4H (0.32) LTA4H
SCHEMBL3429318 0.86 EPHX1 (0.32)

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 1197/4885CYP2D6 707/4885

“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.