SCHEMBL19961328

SCHEMBL19961328

O=C(/C=C/C1CCCCC1)N1CCC1c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
ADAM17 P78536 3/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
DRD4 P21917 1/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RBBP9 O75884 1/20 0.32

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
SCHEMBL19967687 1.00 PKM (0.38) PKMADAM17MAPK1ALDH1A1MEN1
SCHEMBL19961311 0.79 POLB (0.46) PKMALDH1A1POLBNPC1RAB9A
SCHEMBL19967733 0.79 POLB (0.46) PKMALDH1A1POLBNPC1RAB9A
SCHEMBL19961336 0.77 BCHE (0.49) PKMADAM17ALDH1A1MEN1KMT2A
SCHEMBL19961348 0.76 PKM (0.35) PKMADAM17MAPK1ALDH1A1MEN1
SCHEMBL27924756 0.74 PKM (0.52) PKMADAM17MAPK1ALDH1A1MEN1
SCHEMBL2038319 0.74 PKM (0.49) PKMADAM17MAPK1ALDH1A1MEN1
SCHEMBL2041019 0.73 PKM (0.46) PKMADAM17MAPK1ALDH1A1MEN1
SCHEMBL2042725 0.72 PKM (0.50) PKMADAM17MAPK1ALDH1A1MEN1
SCHEMBL30067 0.71 PKM (0.47) PKMADAM17MAPK1ALDH1A1MEN1

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-20180072666-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY NOVALEX THERAPEUTICS INC (US) 2018-03-15 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-20180072666-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY FAR1, TECR, ECI1 PKM 3369/4885ADAM17 2429/4885MAPK1 3528/4885

“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.