SCHEMBL807031

SCHEMBL807031

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(Br)c1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ALOX15 P16050 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDK2 Q15119 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL30394759 0.89 TSHR (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL4206573 0.85 PDK2 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL15587672 0.83 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL12447035 0.83 PDK2 (0.34) PDK2
SCHEMBL14521498 0.83 ALDH1A1 (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL21970457 0.82 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL13486722 0.80 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL12662821 0.80 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL20832362 0.80 ALDH1A1 (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL429926 0.79 PDK2 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596065-B1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2024-12-25 EP disclosed
EP-4075533-B1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KK (JP) 2024-07-03 EP disclosed
WO-2023072976-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
US-11608327-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-03-21 US disclosed
EP-2981993-B1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KK (JP) 2022-05-11 EP disclosed
EP-3904361-A2 BORON CONTAINING COMPOUNDS Merck Patent GmbH (DE) 2021-11-03 EP disclosed
EP-3052505-B1 BORON-CONTAINING COMPOUNDS MERCK PATENT GMBH (DE) 2021-06-23 EP disclosed
EP-3052505-B1 BORON-CONTAINING COMPOUNDS MERCK PATENT GMBH (DE) 2021-06-23 EP disclosed
US-10224493-B2 Boron-containing compounds MERCK PATENT GMBH (DE) 2019-03-05 US disclosed
US-9911921-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2018-03-06 US disclosed
US-20110001864-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-01-06 US disclosed
US-20100176716-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
US-20100176716-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
WO-2010064694-A1 PERYLENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-06-10 WO disclosed
US-20100033081-A1 4-AMINOFLUORENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-02-11 US disclosed
US-20100033081-A1 4-AMINOFLUORENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-02-11 US disclosed
US-20090134788-A1 4-ARYLFLUORENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
WO-2007125809-A1 4-ARYLFLUORENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 2007-11-08 WO disclosed
WO-2007114038-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2007-10-11 WO disclosed
WO-2007072952-A1 4-AMINOFLUORENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2007-06-28 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 (5 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-11608327-B2 Materials for organic electroluminescent devices DDT, PNMT, ESD ALDH1A1 734/4885NPC1 4763/4885PLA2G1B 3251/4885
US-20100033081-A1 4-AMINOFLUORENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE ALAD, CYP4F12, CYP4F11 ALDH1A1 52/4885NPC1 3361/4885PLA2G1B 2999/4885
US-20090134788-A1 4-ARYLFLUORENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME AFF4, PPOX, AFF2 ALDH1A1 21/4885NPC1 2739/4885PLA2G1B 2928/4885
US-20100176716-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND KCNK9, TRPA1, KCNK10 ALDH1A1 336/4885NPC1 3345/4885PLA2G1B 4649/4885
US-10224493-B2 Boron-containing compounds BRI3BP, BTD, BICRA ALDH1A1 3395/4885NPC1 1374/4885PLA2G1B 4719/4885

“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.