SCHEMBL23730285

SCHEMBL23730285

CCN1CCN(C(=O)C(C)c2ccc(CC(CC)(C(=O)c3ccc(N4CCNCC4)cc3)N(C)C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
AURKA O14965 2/20 0.35
AURKB Q96GD4 2/20 0.35
MAPKAPK2 P49137 4/20 0.35
CHRM1 P11229 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL19601377 0.96 TSHR (0.39) TSHRAURKAAURKBMAPKAPK2USP2
SCHEMBL17269396 0.95 TSHR (0.39) TSHRAURKAAURKBMAPKAPK2USP2
SCHEMBL19601370 0.92 TSHR (0.36) TSHRAURKAAURKBMAPKAPK2USP2
SCHEMBL23152945 0.91 TSHR (0.48) TSHRMAPKAPK2ALDH1A1
SCHEMBL19601153 0.91 TSHR (0.35) TSHRAURKAAURKBMAPKAPK2USP2
SCHEMBL17269435 0.90 TSHR (0.37) TSHRAURKAAURKBMAPKAPK2
SCHEMBL18905098 0.90 TSHR (0.45) TSHRMAPKAPK2ALDH1A1
SCHEMBL17269408 0.90 AURKA (0.42) TSHRAURKAAURKB
SCHEMBL19601247 0.85 MAPKAPK2 (0.35) TSHRMAPKAPK2USP2ALDH1A1HSD17B10
SCHEMBL2704646 0.85 ALDH1A1 (0.45) TSHRMAPKAPK2USP2ALDH1A1HSD17B10

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-11079675-B2 Compound, photocurable composition, cured product of same, printing ink, and printed matter curing the printing ink DIC CORPORATION (JP) 2021-08-03 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-11079675-B2 Compound, photocurable composition, cured product of same, printing ink, and printed matter curing the printing ink EPB41, F12, CDK1 TSHR 4803/4885AURKA 2025/4885AURKB 2772/4885

“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.