SCHEMBL4295783

SCHEMBL4295783

OCCCCN1CCC[C@@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.48
SPHK1 Q9NYA1 5/20 0.48
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 2/20 0.43
S1PR4 O95977 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRD1 P41143 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ESR1 P03372 2/20 0.39
ESRRG P62508 2/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL4026383 1.00 SPHK2 (0.48) SPHK2SPHK1ADRA1DADRA1AADRA1B
SCHEMBL3429334 0.94 SPHK2 (0.49) SPHK2SPHK1ADRA1DADRA1AADRA1B
SCHEMBL3427378 0.94 SPHK2 (0.49) SPHK2SPHK1ADRA1DADRA1AADRA1B
SCHEMBL3425937 0.94 SPHK2 (0.49) SPHK2SPHK1ADRA1DADRA1AADRA1B
SCHEMBL3431942 0.85 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL3427098 0.85 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL3429567 0.85 SPHK2 (0.47) SPHK2SPHK1POLBL3MBTL1HRH3
SCHEMBL3085934 0.85 SPHK1 (0.46) SPHK2SPHK1ADRA1DADRA1AADRA1B
SCHEMBL3085930 0.85 SPHK1 (0.46) SPHK2SPHK1ADRA1DADRA1AADRA1B
SCHEMBL4026380 0.85 SPHK1 (0.46) SPHK2SPHK1ADRA1DADRA1AADRA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 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-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB SPHK2 815/4885SPHK1 776/4885ADRA1D 2088/4885

“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.