SCHEMBL3542102

SCHEMBL3542102

CCC(C#N)(CC)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 2/20 0.33
DGAT1 O75907 1/20 0.32
POLB P06746 1/20 0.32
PLCG1 P19174 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
SCHEMBL28609789 0.88 MEN1 (0.34) ALDH1A1TSHRMEN1KMT2AMCL1
SCHEMBL13063974 0.83 ALDH1A1 (0.34) ALDH1A1TSHRMEN1KMT2A
SCHEMBL28063767 0.83 MEN1 (0.36) ALDH1A1TSHRMEN1KMT2AMCL1
SCHEMBL382635 0.82 ALDH1A1 (0.33) ALDH1A1TSHRMEN1KMT2ADGAT1
SCHEMBL1963 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2A
SCHEMBL14997782 0.79 MEN1 (0.39) ALDH1A1TSHRMEN1KMT2A
SCHEMBL8489394 0.78 DGAT1 (0.39) ALDH1A1TSHRMEN1KMT2ADGAT1
SCHEMBL10900919 0.77 CYP2C19 (0.35) ALDH1A1TSHRPOLB
SCHEMBL16268291 0.77 MEN1 (0.47) ALDH1A1TSHRMEN1KMT2AMCL1
SCHEMBL15584136 0.77 MEN1 (0.32) ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 ALDH1A1 422/4885TSHR 4347/4885MEN1 1408/4885

“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.