SCHEMBL664691

SCHEMBL664691

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.33
ALOX5 P09917 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.33
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM4E B2RXH2 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP1A2 P05177 1/20 0.30
SSTR4 P31391 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
SCHEMBL14920977 0.98 EPHX1 (0.33) EPHX1ALOX5ALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL3952769 0.88 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL8020012 0.85 EPHX1 (0.33) EPHX1ALOX5ALDH1A1MEN1LMNA
SCHEMBL28057200 0.82 KEAP1 (0.39) EPHX1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL9800626 0.78 RECQL (0.35) EPHX1ALDH1A1SMN1; SMN2RECQLCHRM2
SCHEMBL28714523 0.78 ALDH1A1 (0.34) EPHX1ALOX5ALDH1A1MEN1LMNA
SCHEMBL5197125 0.78 EPHX1 (0.38) EPHX1ALOX5ALDH1A1MEN1LMNA
SCHEMBL8958248 0.76 GRM2 (0.38) EPHX1ALOX5ALDH1A1MEN1LMNA
SCHEMBL8958254 0.76 GRM2 (0.38) EPHX1ALOX5ALDH1A1MEN1LMNA
SCHEMBL8958245 0.76 GRM2 (0.38) EPHX1ALOX5ALDH1A1MEN1LMNA

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
CN-1308608-A Substituted beta-amino acid inhibitors of methionine aminopeptidase-2 ABBOTT LAB (US) 2001-08-15 CN claimed
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
CN-1308608-A Substituted beta-amino acid inhibitors of methionine aminopeptidase-2 ABBOTT LAB (US) 2001-08-15 CN 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 EPHX1 330/4885ALOX5 1181/4885ALDH1A1 1104/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 EPHX1 678/4885ALOX5 138/4885ALDH1A1 968/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 EPHX1 330/4885ALOX5 1181/4885ALDH1A1 1104/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 EPHX1 678/4885ALOX5 138/4885ALDH1A1 968/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 EPHX1 816/4885ALOX5 212/4885ALDH1A1 1173/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 EPHX1 330/4885ALOX5 1181/4885ALDH1A1 1104/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 EPHX1 678/4885ALOX5 138/4885ALDH1A1 968/4885

“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.