SCHEMBL17269396

SCHEMBL17269396

CCC(Cc1ccc(C(C)C(=O)N2CCNCC2)cc1)(C(=O)c1ccc(N2CCNCC2)cc1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPKAPK2 P49137 5/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AURKA O14965 2/20 0.35
AURKB Q96GD4 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRIA2 P42262 1/20 0.35

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 0.98 TSHR (0.39) TSHRMAPKAPK2USP2ALDH1A1HSD17B10
SCHEMBL17269435 0.95 TSHR (0.37) TSHRMAPKAPK2AURKAAURKBCYP1A2
SCHEMBL23152945 0.95 TSHR (0.48) TSHRMAPKAPK2ALDH1A1
SCHEMBL18905098 0.95 TSHR (0.45) TSHRMAPKAPK2ALDH1A1
SCHEMBL23730285 0.95 TSHR (0.37) TSHRMAPKAPK2USP2ALDH1A1HSD17B10
SCHEMBL17269408 0.95 AURKA (0.42) TSHRAURKAAURKB
SCHEMBL19601370 0.94 TSHR (0.36) TSHRMAPKAPK2USP2ALDH1A1HSD17B10
SCHEMBL19601153 0.92 TSHR (0.35) TSHRMAPKAPK2USP2ALDH1A1HSD17B10
SCHEMBL17269443 0.90 MLNR (0.39) TSHRALDH1A1HPGD
SCHEMBL19601247 0.89 MAPKAPK2 (0.35) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed
US-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed
US-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 US disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 US disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 US disclosed
WO-2015174402-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC株式会社 2015-11-19 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-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK CCNT1, EIF4A1, MARK1 TSHR 4852/4885MAPKAPK2 661/4885USP2 1322/4885

“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.