SCHEMBL23960485

SCHEMBL23960485

CC(=O)[C@H]1CCC[C@H](N)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
ULK1 O75385 4/20 0.35
SMYD3 Q9H7B4 6/20 0.34
TLR4 O00206 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
RECQL P46063 1/20 0.32
NOS2 P35228 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8284979 1.00 KDM1A (0.36) KDM1AULK1SMYD3TLR4CES2
SCHEMBL16199056 1.00 KDM1A (0.36) KDM1AULK1SMYD3TLR4CES2
SCHEMBL25648881 1.00 KDM1A (0.36) KDM1AULK1SMYD3TLR4CES2
SCHEMBL805302 0.86
SCHEMBL12508454 0.86
SCHEMBL12508147 0.86
SCHEMBL805303 0.86
SCHEMBL12651989 0.86
SCHEMBL8284969 0.86
SCHEMBL14261649 0.86

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-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 US disclosed
WO-2021217047-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-28 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-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 KDM1A 1937/4885ULK1 4061/4885SMYD3 1185/4885

“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.