SCHEMBL23977808

SCHEMBL23977808

BrCc1ccc(CNC23CC4CC(CC(C4)C2)C3)o1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
HDAC6 Q9UBN7 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TRPV6 Q9H1D0 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ACHE P22303 2/20 0.38
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL15009200 0.84 MEN1 (0.49) CNR2HDAC6KDM4EALDH1A1TRPV6
SCHEMBL15029047 0.84 HDAC6 (0.48) CNR2HDAC6KDM4EALDH1A1TRPV6
SCHEMBL3360337 0.81 CNR2 (0.46) CNR2HDAC6KDM4EALDH1A1TRPV6
SCHEMBL25775845 0.74 CNR2 (0.43) CNR2HDAC6KDM4EALDH1A1TRPV6
SCHEMBL1072145 0.72 POLB (0.60) CNR2KDM4EALDH1A1KMT2AMAPK1
SCHEMBL2408019 0.72 KDM4E (0.44) CNR2HDAC6KDM4EALDH1A1TRPV6
SCHEMBL2408017 0.72 KDM4E (0.44) CNR2HDAC6KDM4EALDH1A1TRPV6
SCHEMBL16884342 0.72 CNR2 (0.39) CNR2HDAC6KDM4EALDH1A1TRPV6
SCHEMBL15009152 0.72 ALDH1A1 (0.44) CNR2HDAC6KDM4EALDH1A1TRPV6
SCHEMBL16884266 0.71 KDM4E (0.36) CNR2HDAC6KDM4EALDH1A1TRPV6

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-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-06-29 US disclosed
WO-2021219078-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF 上海科技大学 (CN) 2021-11-04 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-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF TNF, GCDH, LITAF CNR2 2547/4885HDAC6 452/4885KDM4E 4035/4885

“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.