SCHEMBL23608952

SCHEMBL23608952

c1ncn(CC2(CNc3ccc(NCC4CCCCC4)cc3)COC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.36
KDM4C Q9H3R0 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 1/20 0.33
AOC1 P19801 1/20 0.33
AOC3 Q16853 1/20 0.33
APP P05067 1/20 0.33
HSP90AA1 P07900 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH3A1 P30838 1/20 0.32
S1PR1 P21453 2/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MC4R P32245 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
SCHEMBL23608960 0.88 IRAK1 (0.33) PDE10ABACE1BACE2
SCHEMBL23608955 0.80 IRAK4 (0.33) KDM4EHSD17B10ALDH1A1BACE1BACE2
SCHEMBL23609131 0.78 MAPK8 (0.30)
SCHEMBL23609348 0.77 ALDH1A1 (0.38) PDE5AKDM4CKDM4ETSHRHSD17B10
SCHEMBL23609770 0.75 CSNK2A2 (0.38) PDE5AKDM4EALDH1A1CTSLCTSS
SCHEMBL23609146 0.73 HSP90AA1 (0.33) HSD17B10HSP90AA1NPSR1CYP3A4CYP2C9
SCHEMBL23608933 0.72 HSP90AA1 (0.31) HSD17B10HSP90AA1NPSR1ALDH1A1CYP1A2
SCHEMBL23876019 0.71 HSP90AA1 (0.33) HSP90AA1NPSR1ALDH1A1CYP3A4CYP2C9
SCHEMBL23876037 0.68 HSP90AA1 (0.31) HSP90AA1NPSR1CYP3A4
SCHEMBL23609212 0.66 HSP90AA1 (0.37) HSD17B10HSP90AA1NPSR1ALDH1A1CYP1A2

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-20230117592-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-04-20 US disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO 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-20230117592-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX5 PDE5A 982/4885KDM4C 2318/4885KDM4E 1418/4885

“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.