SCHEMBL11954562

SCHEMBL11954562

C=C1OB(c2ccc3c4c(cccc24)-c2ccccc2-3)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PABPC1 P11940 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL11955188 0.87
SCHEMBL12317659 0.86
SCHEMBL14682175 0.81
SCHEMBL12227462 0.80 CYP1A2 (0.41) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL14682140 0.80
SCHEMBL10046440 0.80 ALDH1A1 (0.32) KDM4EMAPTALDH1A1MAPK1
SCHEMBL29709221 0.79 KEAP1 (0.46) CRHBPCRHR2KEAP1NFE2L2PABPC1
SCHEMBL30040842 0.79 KEAP1 (0.46) CRHBPCRHR2KEAP1NFE2L2PABPC1
SCHEMBL961673 0.79 KEAP1 (0.46) CRHBPCRHR2KEAP1NFE2L2PABPC1
SCHEMBL13855744 0.79 ALDH1A1 (0.38) KDM4EMAPTALDH1A1HPGDTSHR

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-20130001542-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-01-03 US disclosed
WO-2012098793-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2012-07-26 WO disclosed
US-20100123390-A1 LIGHT-EMITTING DEVICE, IMAGE DISPLAY APPARATUS, AND NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-05-20 US disclosed
US-20080199726-A1 Electroluminescent Device CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-21 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 (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-20100123390-A1 LIGHT-EMITTING DEVICE, IMAGE DISPLAY APPARATUS, AND NOVEL ORGANIC COMPOUND OCIAD1, OCIAD2, OR51E2 CRHBP 4221/4885CRHR2 3968/4885KEAP1 2356/4885
US-20080199726-A1 Electroluminescent Device TPMT, THPO, KYNU CRHBP 3743/4885CRHR2 3907/4885KEAP1 2572/4885

“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.