SCHEMBL21679253

SCHEMBL21679253

O=C(OCc1ccccc1)C1CCC(/C=N\O)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL21679254 1.00 ALDH1A1 (0.46) ALDH1A1GAAFABP7FABP5TSHR
SCHEMBL280126 0.85 FABP7 (0.58) ALDH1A1GAAFABP7FABP5TSHR
SCHEMBL10917021 0.85 FABP7 (0.58) ALDH1A1GAAFABP7FABP5TSHR
SCHEMBL6666657 0.85 FABP7 (0.58) ALDH1A1GAAFABP7FABP5TSHR
SCHEMBL850037 0.84 ALDH1A1 (0.49) ALDH1A1GAAFABP7FABP5TSHR
SCHEMBL1723426 0.84 ALDH1A1 (0.49) ALDH1A1GAAFABP7FABP5TSHR
Hydrochloric Acid SCHEMBL27765522 0.83 FABP7 (0.57) ALDH1A1GAAFABP7FABP5TSHR
Hydrochloric Acid SCHEMBL27944947 0.83 FABP7 (0.57) ALDH1A1GAAFABP7FABP5TSHR
SCHEMBL702762 0.81 ALDH1A1 (0.66) ALDH1A1GAAFABP7FABP5TSHR
SCHEMBL595366 0.81 ALDH1A1 (0.66) ALDH1A1GAAFABP7FABP5TSHR

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-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
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 ALDH1A1 1223/4885GAA 1382/4885FABP7 3202/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 ALDH1A1 1247/4885GAA 1908/4885FABP7 3105/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP ALDH1A1 1223/4885GAA 1382/4885FABP7 3202/4885

“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.