SCHEMBL383924

SCHEMBL383924

CCN(CC)CCOc1ccccc1C(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 3/20 0.68
LMNA P02545 1/20 0.68
SCN1A P35498 3/20 0.53
SCN2A Q99250 3/20 0.53
SCN3A Q9NY46 3/20 0.53
HSP90AA1 P07900 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DRD2 P14416 1/20 0.50
DRD1 P21728 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
SCHEMBL11807946 0.86 ALDH1A1 (0.74) ALDH1A1KDM4ELMNASCN1ASCN2A
Hydrochloric Acid SCHEMBL11672178 0.86 ALDH1A1 (0.65) ALDH1A1KDM4ELMNASCN1ASCN2A
SCHEMBL2469904 0.86 LMNA (0.69) ALDH1A1KDM4ELMNASCN1ASCN2A
SCHEMBL11338177 0.85 ALDH1A1 (0.76) ALDH1A1KDM4ELMNASCN1ASCN2A
SCHEMBL7956961 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EHSP90AA1MAPTHTT
Hydrochloric Acid SCHEMBL11671640 0.84 ALDH1A1 (0.74) ALDH1A1KDM4ELMNASCN1ASCN2A
SCHEMBL8340067 0.84 LMNA (0.70) ALDH1A1KDM4ELMNASCN1ASCN2A
SCHEMBL11339945 0.83 ALDH1A1 (0.62) ALDH1A1KDM4ELMNASCN1ASCN2A
SCHEMBL536427 0.83 MAPT (0.59) ALDH1A1KDM4ELMNAHSP90AA1MAPT
SCHEMBL11340276 0.82 TSHR (0.62) ALDH1A1KDM4ELMNASCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 US disclosed
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 (3 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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 ALDH1A1 1721/4885KDM4E 3638/4885LMNA 174/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 ALDH1A1 1721/4885KDM4E 3638/4885LMNA 174/4885
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 ALDH1A1 3986/4885KDM4E 1821/4885LMNA 3037/4885

“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.