SCHEMBL10015445

SCHEMBL10015445

Nc1ccc2c3c(cccc13)-c1c(-c3ccccc3)ccc(-c3ccccc3)c1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 8/20 0.66
NFE2L2 Q16236 7/20 0.66
CRHBP P24387 1/20 0.66
CRHR2 Q13324 1/20 0.66
KMT2A Q03164 9/20 0.53
USP2 O75604 8/20 0.53
MAPT P10636 6/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 8/20 0.51
RGS12 O14924 3/20 0.51
RECQL P46063 3/20 0.51
CYP3A4 P08684 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
THRB P10828 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL14461125 0.89 KEAP1 (0.66) KEAP1NFE2L2CRHBPCRHR2KMT2A
SCHEMBL503227 0.80 KEAP1 (1.00) KEAP1NFE2L2CRHBPCRHR2KMT2A
SCHEMBL1847371 0.80 ALDH1A1 (0.46) KEAP1NFE2L2CRHBPCRHR2KMT2A
SCHEMBL10015441 0.80 KEAP1 (0.68) KEAP1NFE2L2CRHBPCRHR2KMT2A
SCHEMBL24839912 0.78 TYMS (0.53) KEAP1NFE2L2CRHBPCRHR2KMT2A
SCHEMBL13002347 0.78 CYP1A2 (0.53) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL2208987 0.78 ALDH1A1 (0.54) KEAP1NFE2L2CRHBPCRHR2KMT2A
SCHEMBL10015438 0.77 KEAP1 (0.70) KEAP1NFE2L2CRHBPCRHR2KMT2A
SCHEMBL15709366 0.77 KEAP1 (0.70) KEAP1NFE2L2CRHBPCRHR2KMT2A
SCHEMBL29416695 0.77 KEAP1 (0.70) KEAP1NFE2L2CRHBPCRHR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315460-B2 Organic compound, light-emitting device, and image display apparatus CANON KABUSHIKI KAISHA (JP) 2016-04-19 US disclosed
US-9315460-B2 Organic compound, light-emitting device, and image display apparatus CANON KABUSHIKI KAISHA (JP) 2016-04-19 US disclosed
US-8940413-B2 Organic compound having acenaphtho[1,2-k]benzo[e]acephenanthrene derivative, light-emitting device, and image display apparatus CANON KABUSHIKI KAISHA (JP) 2015-01-27 US disclosed
US-8940413-B2 Organic compound having acenaphtho[1,2-k]benzo[e]acephenanthrene derivative, light-emitting device, and image display apparatus CANON KABUSHIKI KAISHA (JP) 2015-01-27 US disclosed
US-20140374738-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KK (JP) 2014-12-25 US disclosed
US-20140374738-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KK (JP) 2014-12-25 US disclosed
US-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2012-02-02 US disclosed
US-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2012-02-02 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-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS ACE, ACE2, AGTR1 KEAP1 291/4885NFE2L2 2170/4885CRHBP 2121/4885

“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.