SCHEMBL23374113

SCHEMBL23374113

CC(=O)NCCOCCOCCOCCC(=O)NC1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 13/20 0.49
▸ CRBN Q96SW2 2/20 0.42
▸ OXTR P30559 1/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38

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
SCHEMBL23175929 0.88 SMYD3 (0.47) SMYD3CRBNMGLLHSD11B1
SCHEMBL23374101 0.84 SMYD3 (0.47) SMYD3CRBNHSD11B1
SCHEMBL29899587 0.82 SMYD3 (0.53) SMYD3CRBNMGLLHSD11B1
SCHEMBL13826111 0.81 SMYD3 (0.54) SMYD3CRBNMGLLHSD11B1
SCHEMBL16002937 0.76 SMYD3 (0.52) SMYD3CRBNMGLLHSD11B1
SCHEMBL23143574 0.75 CRBN (0.71) SMYD3CRBN
SCHEMBL29899647 0.75 CRBN (0.71) SMYD3CRBN
SCHEMBL29899605 0.74 SMYD3 (0.58) SMYD3CRBN
SCHEMBL23175636 0.73 SMYD3 (0.47) SMYD3HSD11B1
SCHEMBL23143550 0.71 SMYD3 (0.72) SMYD3CRBN

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-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-05-20 — — 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-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF UBQLN2, TXNRD1, TXNRD2 SMYD3 4261/4885CRBN 342/4885OXTR 4416/4885

“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.

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