SCHEMBL3543642

SCHEMBL3543642

CCC(CC)(CN)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
DGAT1 O75907 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
KCNN4 O15554 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
Hydrochloric Acid SCHEMBL29624780 0.98 KDM4E (0.34) CYP4F2CYP4A11DGAT1ALDH1A1POLB
SCHEMBL2477744 0.85 CYP4F2 (0.39) CYP4F2CYP4A11DGAT1ALDH1A1POLB
SCHEMBL23928775 0.79 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL2046 0.79 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL7438928 0.79 CYP4F2 (0.46) CYP4F2CYP4A11KDM4ELMNA
SCHEMBL5000217 0.78 CYP4F2 (0.39) CYP4F2CYP4A11DGAT1ALDH1A1POLB
SCHEMBL2204111 0.78 CYP4F2 (0.39) CYP4F2CYP4A11DGAT1ALDH1A1POLB
SCHEMBL8487930 0.77 DGAT1 (0.40) CYP4F2CYP4A11DGAT1KDM4E
Hydrochloric Acid SCHEMBL719464 0.77 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1POLBKDM4E
SCHEMBL17617116 0.76 CYP4F2 (0.42) CYP4F2CYP4A11DGAT1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-101511836-A Fused pyrimido compounds ASTRAZENECA AB (SE) 2009-08-19 CN 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 CYP4F2 35/4885CYP4A11 11/4885DGAT1 1434/4885

“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.