SCHEMBL3429550

SCHEMBL3429550

[O]CCCN(CCOP(=O)(O)O)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 3/20 0.33
LPAR1 Q92633 2/20 0.33
FDPS P14324 1/20 0.32
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL3430766 0.98 LPAR3 (0.33) LPAR3LPAR2LPAR1
SCHEMBL3431075 0.94 LPAR3 (0.34) LPAR3LPAR2LPAR1
SCHEMBL3430926 0.90 FDPS (0.33) LPAR3LPAR2LPAR1FDPS
SCHEMBL3430932 0.89 FDPS (0.36) LPAR3LPAR2LPAR1FDPS
SCHEMBL3429744 0.89 LPAR3 (0.32) LPAR3LPAR2LPAR1FDPS
SCHEMBL3431280 0.88 LPAR3 (0.36) LPAR3LPAR2LPAR1FDPSDRD2
SCHEMBL3429557 0.88 LPAR3 (0.33) LPAR3LPAR2LPAR1FDPSDRD2
SCHEMBL3430770 0.86 LPAR3 (0.33) LPAR3LPAR2LPAR1
SCHEMBL13400464 0.84 LPAR3 (0.47) LPAR3LPAR2LPAR1DRD2DRD4
SCHEMBL3430928 0.84 FDPS (0.33) LPAR3LPAR2LPAR1FDPS

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 LPAR3 3825/4885LPAR2 4113/4885LPAR1 3837/4885

“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.