SCHEMBL21679458

SCHEMBL21679458

CCOC(=O)C(C)(C)Cc1coc(C2CCC(C(=O)CC(=O)OC)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NTRK1 P04629 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL21678976 0.87 CCNE1 (0.36) CCNE1CDK2NTRK1CNR1CNR2
SCHEMBL21679323 0.84 CCNE1 (0.39) CCNE1CDK2ALDH1A1HSD17B10
SCHEMBL21679366 0.83 CCNE1 (0.38) CCNE1CDK2ALDH1A1HSD17B10NTRK1
SCHEMBL21678905 0.81 CCNE1 (0.34) CCNE1CDK2KDM4EHSD17B10
SCHEMBL21679445 0.80 MAPT (0.38) KDM4E
SCHEMBL21679354 0.79 CCNE1 (0.32) CCNE1CDK2KDM4ECNR1CNR2
SCHEMBL21679494 0.75 NLRP3 (0.35) CCNE1CDK2KDM4EALDH1A1CNR2
SCHEMBL21679202 0.73 DAGLA (0.35) CCNE1CDK2HSD17B10NTRK1
SCHEMBL13172748 0.72 CCNE1 (0.42) CCNE1CDK2KDM4EALDH1A1HSD17B10
SCHEMBL18982483 0.72 MEN1 (0.30) CNR2

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-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (US) 2022-11-03 US disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
EP-3814326-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-05-05 EP disclosed
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 CN disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 US 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-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP CCNE1 1635/4885CDK2 344/4885KDM4E 3791/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 CCNE1 687/4885CDK2 170/4885KDM4E 2429/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP CCNE1 1635/4885CDK2 344/4885KDM4E 3791/4885

“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.