SCHEMBL8219704

SCHEMBL8219704

CC1C2CCCCC2CN1C

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15222067 1.00 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18374424 1.00 ALDH1A1 (0.32) ALDH1A1
SCHEMBL24104956 0.98 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8225093 0.95
SCHEMBL13201852 0.95
SCHEMBL25846167 0.95
SCHEMBL13201869 0.95
SCHEMBL24105302 0.95
SCHEMBL18649194 0.95
SCHEMBL21159481 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018121678-A1 PRODRUG OF ANTIVIRAL NUCLEOSIDE ANALOGUES, AND COMPOSITION AND USE THEREOF 广东东阳光药业有限公司 2018-07-05 WO disclosed
US-9833440-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. 2017-06-08 US disclosed
WO-2017076201-A1 HCV INHIBITORS, PREPARATION METHOD AND USE THEREOF 江苏豪森药业集团有限公司 2017-05-11 WO disclosed
WO-2017076187-A1 1,4(1,4)-DIPHENYLHEXACYCLOPHANE-12,43-DIYL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2017-05-11 WO disclosed
US-9592222-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-9474742-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2016-10-25 US disclosed
US-9468629-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2016-10-18 US disclosed
US-20160113907-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. 2016-04-28 US disclosed
US-20160115157-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. 2016-04-28 US disclosed
US-9273082-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20140323458-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. 2014-10-30 US disclosed
EP-2044010-B1 NEW PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE-INIHIBITORS AND THE USE THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN MUEKOEDO RESZVENYTARSASAG (HU) 2014-01-08 EP disclosed
US-8426359-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-7960558-B2 Pharmaceutical intermediate for synthesizing ACE inhibitors and the use thereof EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2011-06-14 US disclosed
US-7960558-B2 Pharmaceutical intermediate for synthesizing ACE inhibitors and the use thereof EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2011-06-14 US disclosed
US-20100286404-A1 PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE-INHIBITORS AND THE USE THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-11-11 US disclosed
US-20100286404-A1 PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE-INHIBITORS AND THE USE THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-11-11 US disclosed
WO-2007132277-A1 NEW PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE- INHIBITORS AND THE USE THEREOF EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2007-11-22 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 (5 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-20100286404-A1 PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE-INHIBITORS AND THE USE THEREOF ACE, AGTR1, REN ALDH1A1 287/4885
US-20160113907-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR ALDH1A1 92/4885
US-20160115157-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR ALDH1A1 92/4885
US-20140323458-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR ALDH1A1 92/4885
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR ALDH1A1 93/4885

“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.