SCHEMBL2394562

SCHEMBL2394562

C#CC(N)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
TP53 P04637 1/20 0.36
DPP4 P27487 5/20 0.35
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SHBG P04278 1/20 0.33
DPP8 Q6V1X1 1/20 0.33

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
SCHEMBL6880531 1.00 EPHX1 (0.39) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL2396925 0.97
SCHEMBL16640291 0.74 EPHX1 (0.39) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL5646565 0.74 EPHX1 (0.41) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL2292764 0.74 EPHX1 (0.39) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL4040242 0.74 EPHX1 (0.41) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL7139260 0.73 EPHX1 (0.34) EPHX1TP53DPP4KDM4EGMNN
SCHEMBL4624168 0.72 NCF1 (0.37)
SCHEMBL15045495 0.72
SCHEMBL4042923 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2024-12-05 US disclosed
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2022-12-22 US disclosed
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof ALLERGAN, INC. (US) 2021-12-28 US disclosed
CN-111225900-A 3, 4-disubstituted 3-cyclobutene-1, 2-diones and their use 阿勒根公司 2020-06-02 CN disclosed
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2019-02-14 US disclosed
US-9245290-B2 Caspase inhibitors and uses thereof BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2016-01-26 US disclosed
US-20140011847-A1 CASPASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-01-09 US disclosed
US-8518942-B2 Caspase inhibitors and uses thereof BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2013-08-27 US disclosed
US-20110230527-A1 CASPASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-09-22 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 (6 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-20110230527-A1 CASPASE INHIBITORS AND USES THEREOF CASP6, CASP3, CASP2 EPHX1 1297/4885TP53 1817/4885DPP4 114/4885
US-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB EPHX1 2831/4885TP53 4052/4885DPP4 455/4885
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof IL17A, TSLP, SSB EPHX1 2831/4885TP53 4052/4885DPP4 455/4885
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB EPHX1 2831/4885TP53 4052/4885DPP4 455/4885
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB EPHX1 2831/4885TP53 4052/4885DPP4 455/4885
US-20140011847-A1 CASPASE INHIBITORS AND USES THEREOF CASP6, CASP3, CASP2 EPHX1 1297/4885TP53 1817/4885DPP4 114/4885

“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.