SCHEMBL16384281

SCHEMBL16384281

CNCCCCCN(C)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
HDAC6 Q9UBN7 4/20 0.38
KISS1R Q969F8 1/20 0.36
EPHX1 P07099 2/20 0.35
EPHX2 P34913 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
CHRM2 P08172 1/20 0.33
PAOX Q6QHF9 1/20 0.33
PRMT3 O60678 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL23568414 1.00 KDM4A (0.40) KDM4AKDM4CHDAC6KISS1REPHX1
SCHEMBL24607219 0.98 KDM4A (0.38) KDM4AKDM4CHDAC6KISS1REPHX1
SCHEMBL22151226 0.92 KISS1R (0.38) KDM4AKDM4CHDAC6KISS1RPAOX
SCHEMBL12457054 0.84 KDM4A (0.34) KDM4AKDM4CHDAC6KISS1R
SCHEMBL13096282 0.84 PRMT6 (0.42) KDM4AKDM4CHDAC6KISS1RPRMT3
SCHEMBL23696191 0.84 HDAC6 (0.37) HDAC6EPHX1EPHX2BCHEACHE
SCHEMBL23696200 0.83 KDM4E (0.34) KDM4AKDM4CHDAC6KISS1RKDM4E
SCHEMBL24673637 0.82 CYP2C19 (0.39) HDAC6EPHX1EPHX2BCHEACHE
SCHEMBL23560446 0.81 HDAC6 (0.35) HDAC6EPHX1EPHX2BCHEACHE
SCHEMBL16384400 0.80 ALDH1A1 (0.48) KDM4AKDM4CHDAC6PAOXSIGMAR1

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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 IL17A, IL15, IL2 KDM4A 3807/4885KDM4C 3635/4885HDAC6 190/4885

“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.