SCHEMBL660412

SCHEMBL660412

CC1CCCC(CC(N)=O)C1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
JAK2 O60674 1/20 0.36
MITF O75030 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS1R3 Q7RTX0 5/20 0.35
TAS1R1 Q7RTX1 5/20 0.35
TAS1R2 Q8TE23 4/20 0.35
ALDH1A1 P00352 6/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
HPGD P15428 4/20 0.34
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
ALOX5 P09917 1/20 0.31
MEN1 O00255 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
SCHEMBL28386491 0.83 EPHX1 (0.48) EPHX1SMN1; SMN2ALDH1A1L3MBTL1HPGD
SCHEMBL6270156 0.83 EPHX1 (0.48) EPHX1SMN1; SMN2ALDH1A1L3MBTL1HPGD
SCHEMBL23748750 0.83 EPHX1 (0.48) EPHX1SMN1; SMN2ALDH1A1L3MBTL1HPGD
SCHEMBL28393321 0.83 ALDH1A1 (0.40) EPHX1JAK2MITFSMN1; SMN2TAS1R3
SCHEMBL28723340 0.82 PTGS1 (0.36) EPHX1
SCHEMBL1905412 0.80 ALOX5 (0.38) EPHX1ALDH1A1HPGDTDP1KMT2A
SCHEMBL5327077 0.78
SCHEMBL1905506 0.75 ALOX5 (0.38) EPHX1ALDH1A1HPGDTDP1KMT2A
SCHEMBL28723343 0.73
SCHEMBL5499821 0.72 CA1 (0.40) ALOX5

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 EPHX1 330/4885JAK2 3376/4885MITF 4207/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 EPHX1 678/4885JAK2 3014/4885MITF 1000/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 EPHX1 330/4885JAK2 3376/4885MITF 4207/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 EPHX1 678/4885JAK2 3014/4885MITF 1000/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 EPHX1 816/4885JAK2 3625/4885MITF 3052/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 EPHX1 330/4885JAK2 3376/4885MITF 4207/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 EPHX1 678/4885JAK2 3014/4885MITF 1000/4885

“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.