SCHEMBL21965130

SCHEMBL21965130

CCC(CC)COc1cccc([C@H](O)[C@H](C)CN2Cc3ccccc3C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 5/20 0.43
SCN5A Q14524 5/20 0.43
SCN9A Q15858 5/20 0.43
PER2 O15055 1/20 0.39
CRY2 Q49AN0 1/20 0.39
PRMT5 O14744 6/20 0.38
WDR77 Q9BQA1 6/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGAV P06756 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL4569088 0.84 KMT2A (0.46) MEN1KMT2AKDM4E
SCHEMBL4568792 0.76 TSHR (0.40) KDM4ETSHR
SCHEMBL20295221 0.76 KMT2A (0.45) KMT2AKDM4E
SCHEMBL2205942 0.76 KMT2A (0.45) KMT2AKDM4E
SCHEMBL23116499 0.75 L3MBTL1 (0.42) KMT2AKDM4E
SCHEMBL13881750 0.73 TSHR (0.38) KDM4ETSHR
SCHEMBL2206399 0.73 TSHR (0.38) KDM4ETSHR
SCHEMBL20295212 0.73 TSHR (0.38) KDM4ETSHR
SCHEMBL19291709 0.73 TSHR (0.38) KDM4ETSHR
SCHEMBL29818647 0.73 TSHR (0.38) KDM4ETSHR

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-10639286-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2020-05-05 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-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER SCN1A 2610/4885SCN5A 3279/4885SCN9A 3440/4885

“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.