SCHEMBL19001328

SCHEMBL19001328

CCC(=O)N1CCC(N2CCCC2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
KDM5A P29375 1/20 0.44
VNN1 O95497 3/20 0.41
F10 P00742 2/20 0.41
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8160823 0.82 KDM5A (0.46) EPHX2KDM5AVNN1F10NPC1
SCHEMBL4516164 0.82 L3MBTL1 (0.52) ALDH1A1
SCHEMBL15264280 0.80 KDM5A (0.44) KDM5AVNN1F10NPC1RAB9A
SCHEMBL19001333 0.79 KDM5A (0.50) KDM5AVNN1F10ALDH1A1NPC1
SCHEMBL15998852 0.79 KDM5A (0.40) EPHX2KDM5AVNN1KDM6BKDM5C
SCHEMBL10074929 0.79 KDM5A (0.43) KDM5AVNN1F10NPC1RAB9A
SCHEMBL18701762 0.78 VNN1 (0.46) KDM5AVNN1F10NPC1RAB9A
SCHEMBL10074405 0.78 NPC1 (0.44) KDM5AVNN1F10NPC1RAB9A
SCHEMBL10074641 0.78 POLB (0.46) KDM5AVNN1F10ALDH1A1NPC1
SCHEMBL12842023 0.77 OPRL1 (0.41) KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (1 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 EPHX2 2625/4885KDM5A 3421/4885VNN1 3483/4885

“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.