SCHEMBL3426504

SCHEMBL3426504

[O]CCN1CCCCC1CO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.44
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
ALDH1A1 P00352 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
CFB P00751 1/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TYMP P19971 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL3426906 0.94 POLB (0.48) TERTPOLBL3MBTL1SPHK2SPHK1
SCHEMBL3428778 0.94 POLB (0.48) TERTPOLBL3MBTL1SPHK2SPHK1
SCHEMBL3428908 0.94 POLB (0.48) TERTPOLBL3MBTL1SPHK2SPHK1
SCHEMBL10867079 0.87 SPHK2 (0.45) TERTPOLBL3MBTL1SPHK2SPHK1
SCHEMBL3429407 0.85 TERT (0.46) TERTALDH1A1S1PR1S1PR3S1PR5
SCHEMBL3429336 0.85 TERT (0.46) TERTALDH1A1S1PR1S1PR3S1PR5
SCHEMBL3429297 0.85 TERT (0.46) TERTALDH1A1S1PR1S1PR3S1PR5
SCHEMBL3426506 0.83 SPHK2 (0.43) TERTPOLBL3MBTL1SPHK2SPHK1
SCHEMBL3425935 0.82 SPHK1 (0.47) TERTPOLBL3MBTL1SPHK2SPHK1
SCHEMBL3429333 0.82 SPHK1 (0.47) TERTPOLBL3MBTL1SPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809557-B Compound ASTRAZENECA AB 2012-07-04 CN disclosed
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
CN-1809557-A Compound ASTRAZENECA AB (SE) 2006-07-26 CN 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
CN-1205335-A Tricyclic diazepine vasopression antagonists AMERICAN CYANAMID CO (US) 1999-01-20 CN 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 TERT 1531/4885POLB 149/4885L3MBTL1 4849/4885

“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.