SCHEMBL11129643

SCHEMBL11129643

CC#CC(=O)NCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.50
ACHE P22303 8/20 0.47
MMP2 P08253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
NAAA Q02083 1/20 0.44
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.42
CASP2 P42575 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
SCHEMBL14873909 0.93 EPHX1 (0.56) EPHX1NAAACASP2
SCHEMBL14873911 0.91 EPHX1 (0.59) EPHX1NAAACASP2
SCHEMBL14873846 0.91 EPHX1 (0.59) EPHX1NAAACASP2
SCHEMBL14873864 0.91 EPHX1 (0.59) EPHX1NAAACASP2
SCHEMBL6360789 0.88
SCHEMBL9165872 0.80 EPHX1 (0.48) EPHX1ACHEMMP2NAAATSHR
SCHEMBL4160606 0.80 EPHX1 (0.48) EPHX1ACHEMMP2NAAATSHR
SCHEMBL8950824 0.80 EPHX1 (0.48) EPHX1ACHEMMP2NAAATSHR
SCHEMBL29306458 0.80 KDM4E (0.34) EPHX1NAAA
SCHEMBL8950790 0.80 EPHX1 (0.48) EPHX1ACHEMMP2NAAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034326-B1 CHIRAL POLYSILOXANES, PROCESS FOR THEIR PREPARATION AND THEIR USE Bayer, Ernst, Prof. Dr. (DE) 1984-07-25 EP claimed
US-10285986-B2 Compounds and anti-tumor NQO1 substrates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-05-14 US disclosed
US-20180207150-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-26 US disclosed
US-20180207150-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-26 US disclosed
EP-2768308-B1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES UNIV ILLINOIS (US) 2018-04-18 EP disclosed
US-9925180-B2 Compounds and anti-tumor NQO1 substrates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-27 US disclosed
US-9925180-B2 Compounds and anti-tumor NQO1 substrates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-27 US disclosed
US-20170182030-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-06-29 US disclosed
US-20170182030-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-06-29 US disclosed
US-9611266-B2 Compounds and anti-tumor NQO1 substrates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-04-04 US disclosed
US-9611266-B2 Compounds and anti-tumor NQO1 substrates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-04-04 US disclosed
US-20160122348-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 US disclosed
US-20160122348-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 US disclosed
US-9233960-B2 Compounds and anti-tumor NQO1 substrates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-01-12 US disclosed
US-9233960-B2 Compounds and anti-tumor NQO1 substrates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-01-12 US disclosed
US-20150011509-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS (US) 2015-01-08 US disclosed
US-20150011509-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS (US) 2015-01-08 US disclosed
WO-2013056073-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-18 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-20150011509-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES NQO1, KEAP1, SDHA EPHX1 1343/4885ACHE 4483/4885MMP2 1397/4885
US-20160122348-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES NQO1, KEAP1, SDHA EPHX1 1314/4885ACHE 4414/4885MMP2 1395/4885
US-20180207150-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES NQO1, KEAP1, SDHA EPHX1 1204/4885ACHE 4352/4885MMP2 1720/4885
US-10285986-B2 Compounds and anti-tumor NQO1 substrates NQO1, KEAP1, SDHA EPHX1 1204/4885ACHE 4352/4885MMP2 1720/4885
US-20170182030-A1 COMPOUNDS AND ANTI-TUMOR NQO1 SUBSTRATES NQO1, KEAP1, SDHA EPHX1 1204/4885ACHE 4352/4885MMP2 1720/4885

“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.