SCHEMBL3430850

SCHEMBL3430850

[O]CCCN1CCCC[C@@H]1CCO

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 3/20 0.47
S1PR5 Q9H228 3/20 0.47
TERT O14746 3/20 0.44
S1PR4 O95977 1/20 0.42
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
OPRD1 P41143 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LTA4H P09960 2/20 0.34
VEGFA P15692 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
AKR1C3 P42330 1/20 0.33

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
SCHEMBL3431905 1.00 S1PR1 (0.47) S1PR1S1PR3S1PR5TERTS1PR4
SCHEMBL3424378 1.00 S1PR1 (0.47) S1PR1S1PR3S1PR5TERTS1PR4
SCHEMBL3429297 0.89 TERT (0.46) S1PR1S1PR3S1PR5TERTS1PR4
SCHEMBL3429336 0.89 TERT (0.46) S1PR1S1PR3S1PR5TERTS1PR4
SCHEMBL3429407 0.89 TERT (0.46) S1PR1S1PR3S1PR5TERTS1PR4
SCHEMBL3430851 0.87 S1PR1 (0.47) S1PR1S1PR3S1PR5TERTS1PR4
SCHEMBL3424382 0.87 S1PR1 (0.47) S1PR1S1PR3S1PR5TERTS1PR4
SCHEMBL3431907 0.87 S1PR1 (0.47) S1PR1S1PR3S1PR5TERTS1PR4
SCHEMBL2116271 0.84 S1PR1 (0.44) S1PR1S1PR3S1PR5TERTS1PR4
SCHEMBL3429337 0.83 TERT (0.46) S1PR1S1PR3S1PR5TERTS1PR4

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 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.