SCHEMBL22950322

SCHEMBL22950322

CC(C)(OCC=O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HCAR2 Q8TDS4 1/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL874424 0.85 ALDH1A1 (0.56) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL13144047 0.83 ALDH1A1 (0.53) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL23135840 0.79 ALDH1A1 (0.56) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL2152465 0.78 ALDH1A1 (0.51) ALDH1A1HCAR2KMT2ATDP1MAPK1
Ammonia Solution, Strong SCHEMBL27981035 0.78 ALDH1A1 (0.55) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL5001960 0.78 ALDH1A1 (0.55) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL26356799 0.77 ALDH1A1 (0.58) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL522510 0.77 ALDH1A1 (0.62) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL991531 0.77 ALDH1A1 (0.62) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL1273252 0.76 ALDH1A1 (0.49) ALDH1A1HCAR2KMT2ATDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230083012-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2023-03-16 US disclosed
CN-114173787-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 杨森科学爱尔兰无限公司 2022-03-11 CN disclosed
WO-2021018237-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-02-04 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-20230083012-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP ALDH1A1 1212/4885HCAR2 1393/4885KMT2A 3329/4885

“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.