SCHEMBL21679155

SCHEMBL21679155

COC(=O)c1cc(C2CCC(CO)CC2)on1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
STAT1 P42224 3/20 0.51
STAT3 P40763 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 4/20 0.50
SMYD3 Q9H7B4 8/20 0.48
NPC1 O15118 3/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
S1PR3 Q99500 1/20 0.44

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
SCHEMBL20305303 0.90 SMN1; SMN2 (0.65) SMN1; SMN2LMNAPOLBSTAT1STAT3
SCHEMBL22553878 0.84 SMN1; SMN2 (0.59) SMN1; SMN2LMNAPOLBSTAT1STAT3
SCHEMBL18810466 0.82 S1PR3 (0.58) SMN1; SMN2LMNAPOLBSTAT1STAT3
SCHEMBL15599243 0.82 S1PR3 (0.58) SMN1; SMN2LMNAPOLBSTAT1STAT3
SCHEMBL21679038 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAPOLBSTAT1STAT3
SCHEMBL20066504 0.78 STAT1 (0.42) SMN1; SMN2LMNAPOLBSTAT1STAT3
SCHEMBL892257 0.77 TSHR (0.57) SMN1; SMN2LMNAPOLBSTAT1STAT3
SCHEMBL21679130 0.76 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPOLBSTAT1STAT3
SCHEMBL31644564 0.74 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPOLBSTAT1STAT3
SCHEMBL13835269 0.73 RAB9A (0.64) SMN1; SMN2LMNAPOLBSTAT1STAT3

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 7 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-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
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 SMN1; SMN2 4699/4885LMNA 2722/4885POLB 163/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 SMN1; SMN2 4518/4885LMNA 3609/4885POLB 162/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP SMN1; SMN2 4699/4885LMNA 2722/4885POLB 163/4885

“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.