SCHEMBL385606

SCHEMBL385606

CCCOc1ccccc1C(C)=O.[LiH]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.72
ALDH1A1 P00352 5/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
KDM4E B2RXH2 2/20 0.72
MAPT P10636 7/20 0.65
L3MBTL1 Q9Y468 4/20 0.65
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
NR1I2 O75469 1/20 0.55
CHRM2 P08172 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADRA2A P08913 1/20 0.55
OPRK1 P41145 1/20 0.55
HTR2B P41595 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HTT P42858 2/20 0.55
HIF1A Q16665 1/20 0.54
ABCB1 P08183 1/20 0.52
PTK2B Q14289 1/20 0.50

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
SCHEMBL3135517 0.98 LMNA (0.74) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
Lithium SCHEMBL385607 0.96 LMNA (0.72) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8154526 0.89 LMNA (0.74) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL524256 0.88 LMNA (0.73) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL10428688 0.86 LMNA (0.74) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL11738774 0.86 LMNA (0.74) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL3962812 0.86 LMNA (0.74) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL15766523 0.86 LMNA (0.74) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL5151601 0.85 LMNA (0.57) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL124950 0.84 ALDH1A1 (0.71) LMNAALDH1A1SMN1; SMN2KDM4EMAPT

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-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 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-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 LMNA 3037/4885ALDH1A1 3986/4885SMN1; SMN2 2417/4885

“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.