SCHEMBL18205376

SCHEMBL18205376

COC(=O)COCCCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
EPHX2 P34913 1/20 0.44
TSHR P16473 1/20 0.44
TEAD3 Q99594 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.42
MAPK1 P28482 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL31465630 0.97 NAAA (0.46) NAAAL3MBTL1TDP1SMN1; SMN2HTT
SCHEMBL30737050 0.97 NAAA (0.46) NAAAL3MBTL1TDP1SMN1; SMN2HTT
SCHEMBL29084461 0.95 L3MBTL1 (0.52) NAAAL3MBTL1TDP1SMN1; SMN2HTT
SCHEMBL15469740 0.93 SMN1; SMN2 (0.48) NAAAL3MBTL1TDP1SMN1; SMN2HTT
SCHEMBL25203021 0.92 SMN1; SMN2 (0.47) NAAAL3MBTL1TDP1SMN1; SMN2HTT
SCHEMBL1171919 0.88 TSHR (0.52) L3MBTL1SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL24757124 0.86 LMNA (0.51) NAAAL3MBTL1TDP1SMN1; SMN2HTT
SCHEMBL9709561 0.85 NAAA (0.49) NAAAL3MBTL1TDP1SMN1; SMN2HTT
SCHEMBL16673030 0.85 LMNA (0.51) TDP1SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL4109675 0.85 LMNA (0.54) NAAAL3MBTL1TDP1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107624113-B Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection 豪夫迈·罗氏有限公司 2020-10-23 CN disclosed
EP-3292120-B1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
EP-3292120-B1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
EP-3292120-A1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS H. Hoffnabb-La Roche Ag (CH) 2018-03-14 EP disclosed
US-9845322-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-12-19 US disclosed
US-9845322-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-12-19 US disclosed
US-9845322-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-12-19 US disclosed
WO-2016177655-A1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO disclosed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US disclosed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US disclosed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 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 (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-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection TPMT, DPYD, HAVCR2 NAAA 3086/4885L3MBTL1 2774/4885TDP1 1515/4885

“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.