SCHEMBL385728

SCHEMBL385728

COC(=O)c1ccccc1OCCC(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.70
HSP90AA1 P07900 2/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC6A3 Q01959 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48

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
SCHEMBL1079747 0.88 HTT (0.70) HTTMAPTKMT2AGAAKDM4E
SCHEMBL26724884 0.84 HTT (0.74) HTTMAPTKMT2AKDM4EALDH1A1
SCHEMBL5172254 0.84 HTT (0.74) HTTNPSR1MEN1KMT2AKDM4E
SCHEMBL385218 0.84 ALDH1A1 (0.54) HTTHSP90AA1MAPTNPSR1MEN1
SCHEMBL29829739 0.84 HTT (0.74) HTTNPSR1MEN1KMT2AKDM4E
SCHEMBL568543 0.84 HTT (0.74) HTTNPSR1MEN1KMT2AKDM4E
SCHEMBL23516913 0.83 HTT (0.50) HTTHSP90AA1MAPTNPSR1MEN1
SCHEMBL6775946 0.82 HTT (0.52) HTTHSP90AA1MAPTNPSR1KMT2A
SCHEMBL6280141 0.82 HSP90AA1 (0.59) HTTHSP90AA1MAPTNPSR1MEN1
SCHEMBL385973 0.82 HSP90AA1 (0.59) HTTHSP90AA1MAPTNPSR1MEN1

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
CN-117865987-A Antitumor compounds 法马马有限公司 2024-04-12 CN 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 (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 HTT 3937/4885HSP90AA1 2603/4885MAPT 1859/4885

“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.