SCHEMBL664453

SCHEMBL664453

CCC(OC)(C(N)=O)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
EPHX1 P07099 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX5 P09917 1/20 0.32
FKBP1A P62942 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RECQL P46063 1/20 0.31
NAAA Q02083 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL5197125 0.75 EPHX1 (0.38) EPHX1NPSR1ALOX5ALDH1A1MEN1
SCHEMBL8283631 0.73 EPHX1 (0.34) EPHX2EPHX1NPSR1ALDH1A1MEN1
SCHEMBL8958248 0.73 GRM2 (0.38) EPHX1NPSR1ALOX5ALDH1A1MEN1
SCHEMBL8958245 0.73 GRM2 (0.38) EPHX1NPSR1ALOX5ALDH1A1MEN1
SCHEMBL664691 0.73 EPHX1 (0.33) EPHX1NPSR1ALOX5ALDH1A1MEN1
SCHEMBL3691800 0.73 EPHX1 (0.34) EPHX2EPHX1NPSR1ALDH1A1MEN1
SCHEMBL8958254 0.73 GRM2 (0.38) EPHX1NPSR1ALOX5ALDH1A1MEN1
SCHEMBL14920977 0.71 EPHX1 (0.33) EPHX1NPSR1ALOX5ALDH1A1MEN1
SCHEMBL27576640 0.71 SMN1; SMN2 (0.33) EPHX1NPSR1ALOX5FKBP1AALDH1A1
SCHEMBL16732316 0.69 EPHX2 (0.40) EPHX2EPHX1NPSR1FKBP1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 EPHX2 838/4885EPHX1 330/4885NPSR1 1396/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 EPHX2 896/4885EPHX1 678/4885NPSR1 325/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 EPHX2 838/4885EPHX1 330/4885NPSR1 1396/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 EPHX2 896/4885EPHX1 678/4885NPSR1 325/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 EPHX2 1284/4885EPHX1 816/4885NPSR1 685/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 EPHX2 838/4885EPHX1 330/4885NPSR1 1396/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 EPHX2 896/4885EPHX1 678/4885NPSR1 325/4885

“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.