SCHEMBL25769031

SCHEMBL25769031

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.37
SMYD3 Q9H7B4 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.31
TLR2 O60603 2/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30
CPB1 P15086 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL8285949 1.00 TLR4 (0.37) TLR4SMYD3SMN1; SMN2PIK3CDTLR2
SCHEMBL8286944 0.90 TLR4 (0.34) TLR4SMYD3
SCHEMBL25769017 0.90 TLR4 (0.34) TLR4SMYD3
SCHEMBL22519397 0.86
SCHEMBL10067950 0.86 SMYD3 (0.38) TLR4SMYD3SMN1; SMN2TLR2PLG
SCHEMBL16360129 0.86 SMYD3 (0.38) TLR4SMYD3SMN1; SMN2TLR2PLG
SCHEMBL256670 0.77
SCHEMBL8284969 0.76
SCHEMBL12651989 0.76
SCHEMBL805302 0.76

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-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 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-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 TLR4 382/4885SMYD3 1185/4885SMN1; SMN2 21/4885

“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.