SCHEMBL15469740

SCHEMBL15469740

COC(=O)COCCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
NAAA Q02083 1/20 0.45
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 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
SCHEMBL25203021 0.98 SMN1; SMN2 (0.47) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL30737050 0.94 NAAA (0.46) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL31465630 0.94 NAAA (0.46) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL18205376 0.93 NAAA (0.48) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL29084461 0.92 L3MBTL1 (0.52) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL1171919 0.91 TSHR (0.52) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL21768195 0.90 ALDH1A1 (0.54) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL22636310 0.85 ALDH1A1 (0.54) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL25030109 0.85 ALDH1A1 (0.54) SMN1; SMN2HTTALDH1A1LMNAKDM4E
SCHEMBL5060301 0.84 TDP1 (0.50) ALDH1A1LMNAKDM4ENPC1RAB9A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996566-B Chroman-4-one derivatives for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-11-03 CN disclosed
CN-116438177-A Targeted chimeric compounds, pharmaceutical compositions containing same, and preparation methods and uses thereof 江苏亚虹医药科技股份有限公司 2023-07-14 CN disclosed
US-11541050-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2023-01-03 US disclosed
US-20220388972-A1 CHROMAN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-12-08 US disclosed
US-20220388972-A1 CHROMAN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-12-08 US disclosed
US-20220388969-A1 SUBSTITUTED 3,4-DIHYDROQUINAZOLINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-12-08 US disclosed
US-20220388969-A1 SUBSTITUTED 3,4-DIHYDROQUINAZOLINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-12-08 US disclosed
EP-4038055-A1 SUBSTITUTED 3,4-DIHYDROQUINAZOLINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2022-08-10 EP disclosed
WO-2022161166-A1 TARGETING CHIMERIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏亚虹医药科技股份有限公司 2022-08-04 WO disclosed
CN-114502538-A Substituted 3, 4-dihydroquinazolines for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2022-05-13 CN disclosed
US-10272085-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-04-30 US disclosed
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-26 US disclosed
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-26 US disclosed
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 EP disclosed
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-24 US disclosed
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-24 US disclosed
US-9422250-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-08-23 US disclosed
US-9422250-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-08-23 US disclosed
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2014-02-13 US disclosed
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2014-02-13 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 (7 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-20220388972-A1 CHROMAN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP4B1, CYP7A1 SMN1; SMN2 3191/4885HTT 4455/4885ALDH1A1 920/4885
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 SMN1; SMN2 3359/4885HTT 3104/4885ALDH1A1 1826/4885
US-10272085-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 SMN1; SMN2 3359/4885HTT 3104/4885ALDH1A1 1826/4885
US-11541050-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 SMN1; SMN2 3359/4885HTT 3104/4885ALDH1A1 1826/4885
US-20220388969-A1 SUBSTITUTED 3,4-DIHYDROQUINAZOLINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP3A43, CYP2F1 SMN1; SMN2 3902/4885HTT 4001/4885ALDH1A1 238/4885
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 SMN1; SMN2 3359/4885HTT 3104/4885ALDH1A1 1826/4885
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 SMN1; SMN2 3359/4885HTT 3104/4885ALDH1A1 1826/4885

“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.