SCHEMBL16203407

SCHEMBL16203407

CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.42
CHUK O15111 4/20 0.42
IKBKE Q14164 1/20 0.42
PKMYT1 Q99640 1/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
MAOA P21397 1/20 0.36
PTPN1 P18031 1/20 0.36
USP7 Q93009 1/20 0.36
HPRT1 P00492 1/20 0.36
MAP4K4 O95819 1/20 0.36
PTGS1 P23219 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL1491936 0.88 CA1 (0.43) CA1CA2ALDH1A1HSD17B10MAOA
SCHEMBL30903392 0.86 HSD17B10 (0.44) CA1CA2ALDH1A1HSD17B10MAOA
SCHEMBL24061499 0.84 NUDT1 (0.43) CA1CA2ALDH1A1HSD17B10CA12
SCHEMBL20754892 0.82 METAP2 (0.37) CA1CA2ALDH1A1HSD17B10CA12
SCHEMBL16203403 0.82 GABRA1 (0.41) CA1CA2ALDH1A1HSD17B10CA12
SCHEMBL27333267 0.80 ALDH1A1 (0.38) CA1CA2ALDH1A1HSD17B10CA12
SCHEMBL1638704 0.80 IKBKB (0.51) IKBKBCHUKIKBKEPKMYT1ALDH1A1
SCHEMBL31603747 0.78 CA1 (0.57) CA1CA2PTPN1PTGS1HSP90AA1
SCHEMBL5016738 0.77 HSD17B10 (0.52) IKBKBCHUKIKBKEPKMYT1ALDH1A1
SCHEMBL16203402 0.77 CA1 (0.46) CA1CA2ALDH1A1HSD17B10CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160079547-A1 BLUE LUMINESCENT COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY 2016-03-17 US disclosed
WO-2015175130-A1 BLUE LUMINESCENT COMPOUND AND DIASTEREOMERS THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-11-19 WO disclosed
WO-2014176159-A9 BLUE LUMINESCENT COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-02-19 WO disclosed
WO-2014176159-A1 BLUE LUMINESCENT COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-10-30 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-20160079547-A1 BLUE LUMINESCENT COMPOUNDS HBS1L, IK, LAS1L IKBKB 3418/4885CHUK 3404/4885IKBKE 3311/4885

“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.