SCHEMBL21679366

SCHEMBL21679366

CCOC(=O)CC(=O)C1CCC(c2nc(CC(=O)OC)co2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NTRK1 P04629 3/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL21679323 0.97 CCNE1 (0.39) CCNE1CDK2HSD17B10ALDH1A1TDP1
SCHEMBL21678905 0.89 CCNE1 (0.34) CCNE1CDK2HSD17B10MEN1KMT2A
SCHEMBL13172748 0.86 CCNE1 (0.42) CCNE1CDK2HSD17B10ALDH1A1TDP1
SCHEMBL21679328 0.84 ALDH1A1 (0.41) CCNE1CDK2HSD17B10ALDH1A1TDP1
SCHEMBL21679494 0.83 NLRP3 (0.35) CCNE1CDK2ALDH1A1MEN1KMT2A
SCHEMBL21679458 0.83 CCNE1 (0.36) CCNE1CDK2HSD17B10ALDH1A1NTRK1
SCHEMBL4905785 0.80 HPGD (0.43) CCNE1CDK2HSD17B10ALDH1A1TDP1
SCHEMBL21679354 0.78 CCNE1 (0.32) CCNE1CDK2MEN1KMT2A
SCHEMBL21679202 0.76 DAGLA (0.35) CCNE1CDK2HSD17B10NTRK1
SCHEMBL21679037 0.76 MAPT (0.40) ALDH1A1SMN1; SMN2HPGDPKMNPC1

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 4 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
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 344/4885HSD17B10 1031/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 CCNE1 687/4885CDK2 170/4885HSD17B10 1288/4885
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 344/4885HSD17B10 1031/4885

“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.