SCHEMBL13735645

SCHEMBL13735645

CC(=O)N1CCC(/C=C/C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.40
EPHX1 P07099 2/20 0.40
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
QDPR P09417 1/20 0.36
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL15523084 1.00 EPHX2 (0.40) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL27636829 0.84 HDAC8 (0.36) HDAC8
SCHEMBL24434580 0.80 EPHX2 (0.42) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL14317303 0.80 EPHX2 (0.42) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL2666145 0.78 EPHX2 (0.53) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL1722011 0.76 HPGD (0.50) EPHX1KDM4ESMN1; SMN2
SCHEMBL21041256 0.76 GAA (0.41) TDP1SMN1; SMN2
SCHEMBL1722010 0.76 HPGD (0.50) EPHX1KDM4ESMN1; SMN2
SCHEMBL892513 0.76 TSHR (0.44) TDP1SMN1; SMN2HDAC8
SCHEMBL821436 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 US disclosed
US-11485725-B2 Derivatives of piperlongumine and uses thereof AURANSA INC. (US) 2022-11-01 US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 US disclosed
US-10662199-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2020-05-26 US disclosed
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 EP disclosed
WO-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 WO disclosed
WO-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 WO disclosed
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HOWARD HUGHES MEDICAL INSTITUTE 2018-01-18 US disclosed
US-20170217955-A9 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2017-08-03 US disclosed
US-20160347761-A1 INHIBITORS OF HISTONE DEACETYLASE THE GENERAL HOSPITAL CORP D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2016-12-01 US disclosed
US-9447030-B2 Inhibitors of histone deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2016-09-01 US disclosed
US-9365498-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2016-06-14 US disclosed
US-20140080802-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
EP-2701699-A1 INHIBITORS OF HISTONE DEACETYLASE The Broad Institute, Inc. (US) 2014-03-05 EP disclosed
WO-2012149540-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE INC (US) 2012-11-01 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 (11 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-20140080800-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 EPHX2 2012/4885EPHX1 1746/4885CYP1A2 2050/4885
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO EPHX2 2593/4885EPHX1 2418/4885CYP1A2 1034/4885
US-20160347761-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 EPHX2 2012/4885EPHX1 1746/4885CYP1A2 2050/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 EPHX2 2012/4885EPHX1 1746/4885CYP1A2 2050/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 EPHX2 2012/4885EPHX1 1746/4885CYP1A2 2050/4885
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 EPHX2 2571/4885EPHX1 1812/4885CYP1A2 2111/4885
US-20140080802-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 EPHX2 2012/4885EPHX1 1746/4885CYP1A2 2050/4885
US-20170217955-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 EPHX2 2571/4885EPHX1 1812/4885CYP1A2 2111/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 EPHX2 2401/4885EPHX1 2324/4885CYP1A2 417/4885
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 EPHX2 2012/4885EPHX1 1746/4885CYP1A2 2050/4885
US-11485725-B2 Derivatives of piperlongumine and uses thereof PIR, THPO, DHPS EPHX2 2463/4885EPHX1 2273/4885CYP1A2 380/4885

“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.