SCHEMBL16010504

SCHEMBL16010504

NC1CCC(O)(c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
VCP P55072 1/20 0.41
AOC3 Q16853 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
FLT3 P36888 1/20 0.37
KDM4E B2RXH2 3/20 0.36
DAO P14920 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
SRD5A2 P31213 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.36
DDO Q99489 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOB P27338 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL4510599 0.84 VCP (0.43) SMYD3VCPAOC3NPC1RAB9A
SCHEMBL12948668 0.81 FLT3 (0.41) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL7500375 0.76 HRH4 (0.52) VCPBRD4CHRNA7
SCHEMBL3062818 0.74 FLT3 (0.44) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL7501279 0.71 HTR6 (0.44) VCPALDH1A1CHRNA7HTR3ACNR2
SCHEMBL7866429 0.71 OPRL1 (0.57) KDM4EHSD17B10ALDH1A1MEN1CYP2C9
SCHEMBL6096901 0.68 AOC3 (0.44) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL6659414 0.68 OPRL1 (0.56) ALDH1A1MAOBOPRL1
SCHEMBL6659407 0.68 OPRL1 (0.56) ALDH1A1MAOBOPRL1
SCHEMBL6659416 0.68 OPRL1 (0.56) ALDH1A1MAOBOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 SMYD3 1647/4885VCP 2354/4885AOC3 4592/4885

“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.