SCHEMBL3429794

SCHEMBL3429794

[O]CCN1CCCC1COP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR5 Q9H228 3/20 0.40
S1PR4 O95977 1/20 0.40
LTA4H P09960 4/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
FBP1 P09467 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL3424441 0.95 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4LTA4H
SCHEMBL3429891 0.91 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4LTA4H
SCHEMBL14278763 0.87 S1PR1 (0.40) S1PR1S1PR3S1PR5S1PR4LTA4H
SCHEMBL14278741 0.87 S1PR1 (0.40) S1PR1S1PR3S1PR5S1PR4LTA4H
SCHEMBL13400532 0.86 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4HDAC8
SCHEMBL13531690 0.84 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4HDAC8
SCHEMBL3429892 0.84 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4LTA4H
SCHEMBL14278710 0.84 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4LTA4H
SCHEMBL14278697 0.84 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4LTA4H
SCHEMBL3428721 0.83 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4LTA4H

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 S1PR1 4208/4885S1PR3 4315/4885S1PR5 4017/4885

“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.