SCHEMBL1901344

SCHEMBL1901344

CCOC(=O)c1cnc(C(C)(C)C)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 5/20 0.45
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.43
IKBKB O14920 1/20 0.43

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
SCHEMBL4046668 0.88 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1900744 0.84 DPP4 (0.46) L3MBTL1KDM4EDPP4ALDH1A1GAA
SCHEMBL17648758 0.84 BAZ2B (0.50) CA12CA1CA2CA9L3MBTL1
SCHEMBL27861298 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL502007 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL28578164 0.78 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL7855992 0.78 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL17648259 0.76 THRB (0.41) L3MBTL1KDM4EDPP4ALDH1A1GAA
SCHEMBL31440845 0.74 FOS (0.39) L3MBTL1KDM4EDPP4GAAMAPT
SCHEMBL12775442 0.74 ALOX15 (0.51) L3MBTL1KDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2203437-B1 CHIRAL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
EP-2325180-A1 Chiral CIS-imidazolines F. Hoffmann-La Roche AG (CH) 2011-05-25 EP disclosed
EP-2203437-A1 CHIRAL CIS-IMIDAZOLINES F. Hoffmann-Roche AG (CH) 2010-07-07 EP disclosed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
WO-2009047161-A1 CHIRAL CIS-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 WO 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-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CA12 2219/4885CA1 2189/4885CA2 1290/4885

“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.