SCHEMBL19601247

SCHEMBL19601247

CCC(Cc1ccc(C(C)C(=O)N2CC(C)N(C(=O)C(C)c3ccc(CC(CC)(C(=O)c4ccc(N5CCNCC5)cc4)N(C)C)cc3)CC2C)cc1)(C(=O)c1ccc(N2CCNCC2)cc1)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.35
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRD1 P41143 3/20 0.32
OPRM1 P35372 1/20 0.32
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
CTSB P07858 1/20 0.31
ACACB O00763 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
SCHEMBL19601240 0.91 MAPKAPK2 (0.31) MAPKAPK2
SCHEMBL17269396 0.89 TSHR (0.39) MAPKAPK2USP2ALDH1A1TSHRHSD17B10
SCHEMBL19601377 0.89 TSHR (0.39) MAPKAPK2USP2ALDH1A1TSHRHSD17B10
SCHEMBL23730285 0.85 TSHR (0.37) MAPKAPK2USP2ALDH1A1TSHRHSD17B10
SCHEMBL23152945 0.85 TSHR (0.48) MAPKAPK2ALDH1A1TSHR
SCHEMBL19601366 0.85 MLNR (0.36) MAPKAPK2ALDH1A1
SCHEMBL19601370 0.85 TSHR (0.36) MAPKAPK2USP2ALDH1A1TSHRHSD17B10
SCHEMBL17269435 0.84 TSHR (0.37) MAPKAPK2TSHR
SCHEMBL2704646 0.84 ALDH1A1 (0.45) MAPKAPK2USP2ALDH1A1TSHRHSD17B10
SCHEMBL17269408 0.84 AURKA (0.42) TSHR

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 3 patents. 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
US-20190137872-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT OF SAME, PRINTING INK, AND PRINTED MATTER SURING THE PRINTING INK DIC CORPORATION (JP) 2019-05-09 US disclosed
WO-2017195428-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, PRINTING INK, AND PRINTED MATTER USING PRINTING INK DIC株式会社 2017-11-16 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 (2 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 MAPKAPK2 3111/4885USP2 1529/4885ALDH1A1 862/4885
US-20190137872-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT OF SAME, PRINTING INK, AND PRINTED MATTER SURING THE PRINTING INK EPB41, CDK1, CDKN1A MAPKAPK2 2979/4885USP2 1306/4885ALDH1A1 615/4885

“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.