SCHEMBL3428964

SCHEMBL3428964

[O]CCN1CCN(CCOP(=O)(O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.35
LPAR2 Q9HBW0 6/20 0.35
LPAR1 Q92633 4/20 0.35
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
S1PR1 P21453 2/20 0.32
S1PR5 Q9H228 2/20 0.32
HSD11B1 P28845 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
NPC1 O15118 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
SCHEMBL3431489 0.89 ALDH1A1 (0.32) LPAR3LPAR2LPAR1CSNK2A2CSNK2B
SCHEMBL3427278 0.89 CSNK2A2 (0.41) LPAR3LPAR2LPAR1CSNK2A2CSNK2B
SCHEMBL3434049 0.89 LPAR3 (0.37) LPAR3LPAR2LPAR1CSNK2A2CSNK2B
SCHEMBL14407788 0.84 ALDH1A1 (0.41) LPAR3LPAR2LPAR1CSNK2A2CSNK2B
SCHEMBL3428966 0.84 ALDH1A1 (0.41) LPAR3LPAR2LPAR1CSNK2A2CSNK2B
SCHEMBL16300835 0.84 LPAR3 (0.39) LPAR3LPAR2LPAR1HSD11B1
SCHEMBL7521230 0.83 MAPT (0.45) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL22213099 0.82 LPAR3 (0.47) LPAR3LPAR2LPAR1S1PR1S1PR5
SCHEMBL10241147 0.82 LPAR3 (0.42) LPAR3LPAR2LPAR1
SCHEMBL3434052 0.81 LMNA (0.40) LPAR3LPAR2LPAR1CSNK2A2CSNK2B

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 3 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

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.