SCHEMBL2016562

SCHEMBL2016562

CN1CCC(NC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SSTR4 P31391 3/20 0.44
P2RX4 Q99571 1/20 0.44
SSTR1 P30872 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
EPHX2 P34913 2/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL21847058 0.89 ALDH1A1 (0.46) KDM4EALDH1A1SSTR4P2RX4SIGMAR1
SCHEMBL21816599 0.88 KDM4E (0.44) KDM4EALDH1A1SSTR4P2RX4SSTR1
Cyclohexanol SCHEMBL9329942 0.87 KDM4E (0.51) KDM4EALDH1A1SIGMAR1EPHX2EPHX1
SCHEMBL1749205 0.87 SSTR4 (0.44) KDM4EALDH1A1SSTR4SSTR1
SCHEMBL1189936 0.87 SSTR4 (0.44) KDM4EALDH1A1SSTR4SSTR1
SCHEMBL4202085 0.87 SSTR4 (0.44) KDM4EALDH1A1SSTR4SSTR1
Hydrochloric Acid SCHEMBL2013502 0.85 SSTR4 (0.43) KDM4EALDH1A1SSTR4SSTR1
SCHEMBL13621156 0.83 KDM4E (0.50) KDM4EALDH1A1SSTR4P2RX4SIGMAR1
SCHEMBL25387824 0.82 PKM (0.43) KDM4EALDH1A1SSTR4P2RX4SSTR1
SCHEMBL508551 0.82 ATM (0.45) KDM4EALDH1A1SSTR4P2RX4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233794-B1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF ADT PHARMACEUTICALS LLC (US) 2023-02-01 EP claimed
US-20220315553-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ADT PHARMACEUTICALS, LLC (US) 2022-10-06 US claimed
EP-3666268-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT Pharmaceuticals, LLC (US) 2020-06-17 EP claimed
EP-3609888-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2020-02-19 EP claimed
EP-3233071-B1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS LLC (US) 2019-09-18 EP claimed
WO-2018170182-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 WO claimed
US-20180251443-A9 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS, LLC 2018-09-06 US claimed
US-20180208573-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF BOYD, MICHAEL R. 2018-07-26 US claimed
US-20180044314-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS INC (US) 2018-02-15 US claimed
EP-3233794-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ADT Pharmaceuticals, Inc. (US) 2017-10-25 EP claimed
WO-2016100542-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ADT PHARMACEUTICALS, INC. (US) 2016-06-23 WO claimed
WO-2016100546-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS, INC. (US) 2016-06-23 WO claimed
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2015-01-22 US claimed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP claimed
EP-1515724-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-10-21 EP claimed
CN-100421665-C Mitotic kinesin inhibitors MERCK & CO INC (US) 2008-10-01 CN claimed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 US claimed
CN-1898234-A Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORP (US) 2007-01-17 CN claimed
CN-1674906-A Mitotic kinesin inhibitors MERCK & CO INC (US) 2005-09-28 CN claimed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 US claimed

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-20220315553-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF INSRR, INSR, BRCA1 KDM4E 1585/4885ALDH1A1 989/4885SSTR4 1562/4885
US-20180251443-A9 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES KRAS, NRAS, HRAS KDM4E 4194/4885ALDH1A1 1984/4885SSTR4 4464/4885
US-20180208573-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF INSRR, INSR, BRCA1 KDM4E 1762/4885ALDH1A1 769/4885SSTR4 1657/4885
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 KDM4E 1350/4885ALDH1A1 497/4885SSTR4 3720/4885
US-20180044314-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES KRAS, NRAS, HRAS KDM4E 4194/4885ALDH1A1 1984/4885SSTR4 4464/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 KDM4E 1839/4885ALDH1A1 415/4885SSTR4 3760/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 KDM4E 1350/4885ALDH1A1 497/4885SSTR4 3720/4885

“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.