SCHEMBL3342669

SCHEMBL3342669

CC(=O)c1ccccc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.52
RBP4 P02753 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK14 Q16539 1/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 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
SCHEMBL1474739 0.84 KDM4E (0.53) ABCB1RBP4KDM4E
SCHEMBL23365193 0.81 HPGD (0.55) RBP4CYP2C9CYP2C19MAPK14KDM4E
SCHEMBL23365120 0.81 ALDH1A1 (0.52) RBP4CYP2C9CYP2C19MAPK14ALDH1A1
SCHEMBL27823273 0.80 ABCB1 (0.46) ABCB1RBP4MAPTLMNAALDH1A1
SCHEMBL12748509 0.80 LMNA (0.51) ABCB1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL5210714 0.79 ALDH1A1 (0.51) RBP4MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL796332 0.79 GRIN2D (0.55) KMT2APOLB
Hydrochloric Acid SCHEMBL1475166 0.78 LMNA (0.50) ABCB1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL23365217 0.78 RBP4 (0.59) RBP4CYP2C9CYP2C19MAPK14
SCHEMBL791389 0.76 CYP2C9 (0.53) RBP4CYP2C9CYP2C19MAPK14ALDH1A1

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
EP-2074114-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2013-03-06 EP disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 US disclosed
EP-2074114-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 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-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK2A2, CSNK1A1 ABCB1 3291/4885RBP4 4631/4885MAPT 2207/4885

“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.