SCHEMBL4567943

SCHEMBL4567943

CC(=O)C(C)CCCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.39
CA1 P00915 2/20 0.38
PAOX Q6QHF9 1/20 0.36
DNM1 Q05193 3/20 0.36
KDM4A O75164 10/20 0.35
KDM4C Q9H3R0 10/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 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
SCHEMBL28060820 0.93 USP2 (0.40) ALDH1A1TSHRUSP2CA1PAOX
SCHEMBL6824546 0.84 USP2 (0.35) ALDH1A1USP2PAOX
SCHEMBL12153331 0.83 CA1 (0.48) ALDH1A1CA1
SCHEMBL25468996 0.83 LTA4H (0.50) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL8062393 0.83 LTA4H (0.50) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL12153332 0.81 CA1 (0.46) CA1
SCHEMBL28693236 0.81 ALDH1A1 (0.40) ALDH1A1TSHRUSP2CA1DNM1
SCHEMBL14610975 0.81 ACE2 (0.50) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL14569702 0.81 ACE2 (0.50) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL8213505 0.81 ACE2 (0.50) ALDH1A1TSHRKDM4AKDM4CKDM5A

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-9078929-B2 ε-Polylysine conjugates and the use thereof MERCK PATENT GMBH (DE) 2015-07-14 US disclosed
US-20120122788-A1 E-POLYLYSINE CONJUGATES AND THE USE THEREOF MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-17 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-20120122788-A1 E-POLYLYSINE CONJUGATES AND THE USE THEREOF LNPEP, EEA1, DNPEP ALDH1A1 3963/4885TSHR 4074/4885USP2 1918/4885

“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.