SCHEMBL21563064

SCHEMBL21563064

COC(=N)CCC(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.68
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
Hydrochloric Acid SCHEMBL7971313 0.97 TSHR (0.65) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL27725319 0.91 TSHR (0.56) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL44179 0.85 TSHR (0.64) TSHRLMNAKDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL120844 0.83 TSHR (0.61) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL43894 0.83 TSHR (0.61) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL328732 0.83 TSHR (0.61) TSHRLMNAKDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1266800 0.83 TSHR (0.61) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL44285 0.83 TSHR (0.61) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL27846484 0.83 TSHR (0.37) TSHR
Dimethyl Succinate SCHEMBL28054469 0.83 TSHR (1.00) TSHRLMNAKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 US disclosed
WO-2019214610-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2019-11-14 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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, TYMP, HAVCR2 TSHR 4093/4885LMNA 3225/4885KDM4E 3801/4885

“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.