SCHEMBL660425

SCHEMBL660425

NC(=O)CCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.36
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 3/20 0.32
KMT2A Q03164 1/20 0.32
TARDBP Q13148 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
P2RX7 Q99572 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
SCHEMBL2093413 0.89 HSD11B1 (0.47) HSD11B1L3MBTL1CYP2C9EPHX2KMT2A
SCHEMBL6159955 0.80 HSD11B1 (0.61) HSD11B1L3MBTL1CYP2C9EPHX2HSD17B10
SCHEMBL2133238 0.77 HSD11B1 (0.64) HSD11B1L3MBTL1CYP2C9EPHX2HSD17B10
SCHEMBL3901434 0.72 HSD11B1 (0.57) HSD11B1L3MBTL1CYP2C9EPHX2KMT2A
SCHEMBL2049723 0.71 HSD11B1 (0.34) HSD11B1
SCHEMBL9742313 0.71 HSD11B1 (0.41) HSD11B1L3MBTL1EPHX2ALDH1A1
SCHEMBL3902542 0.71 HSD11B1 (0.55) HSD11B1L3MBTL1CYP2C9EPHX2KMT2A
SCHEMBL13346504 0.70 RAB9A (0.42) L3MBTL1KMT2ATARDBP
SCHEMBL10761559 0.69 HSD11B1 (0.53) HSD11B1L3MBTL1CYP2C9EPHX2KMT2A
SCHEMBL10756960 0.69 HSD11B1 (0.53) HSD11B1L3MBTL1CYP2C9EPHX2KMT2A

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 HSD11B1 3661/4885L3MBTL1 1305/4885CYP2C9 1093/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HSD11B1 1013/4885L3MBTL1 3959/4885CYP2C9 2600/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 HSD11B1 3661/4885L3MBTL1 1305/4885CYP2C9 1093/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HSD11B1 1013/4885L3MBTL1 3959/4885CYP2C9 2600/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 HSD11B1 1069/4885L3MBTL1 3252/4885CYP2C9 2213/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 HSD11B1 3661/4885L3MBTL1 1305/4885CYP2C9 1093/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HSD11B1 1013/4885L3MBTL1 3959/4885CYP2C9 2600/4885

“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.