SCHEMBL12415326

SCHEMBL12415326

CC(C)(C)c1ccc2c(-c3ccccc3)c3cc(C(C)(C)C)ccc3c(Br)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.39
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2700290 0.97 KIF11 (0.42) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B
SCHEMBL1063342 0.90 KIF11 (0.46) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B
SCHEMBL29886458 0.90 KIF11 (0.46) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B
SCHEMBL1322254 0.88 KIF11 (0.49) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B
SCHEMBL2699352 0.85 KIF11 (0.39) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B
SCHEMBL261257 0.85 KIF11 (0.46) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B
SCHEMBL29416708 0.85 KIF11 (0.46) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B
SCHEMBL2246981 0.84 KIF11 (0.52) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B
SCHEMBL13433265 0.82 ALDH1A1 (0.43) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B
SCHEMBL30304254 0.82 ALDH1A1 (0.43) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B

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-8283855-B2 Method for synthesis of anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 US disclosed
US-8283855-B2 Method for synthesis of anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 US disclosed
US-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-07-14 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-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE CYP1A1, AHR, CYP2C9 KIF11 3694/4885ALDH1A1 65/4885L3MBTL1 4147/4885

“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.