SCHEMBL2876558

SCHEMBL2876558

COc1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccc(OC)cc3)nc(-c3ccccc3-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.63
ABCB1 P08183 2/20 0.63
BCR P11274 2/20 0.63
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
CLK4 Q9HAZ1 1/20 0.52
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
NR1H4 Q96RI1 2/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL12715050 0.87 ABL1 (0.79) ABL1ABCB1BCRLMNAMAPT
SCHEMBL11096260 0.85 ABL1 (0.76) ABL1ABCB1BCRLMNAMAPT
SCHEMBL11819228 0.83 ABL1 (0.73) ABL1ABCB1BCRLMNAMAPT
SCHEMBL27043229 0.82 TDP1 (0.67) ABL1ABCB1BCRLMNAMAPT
Hydrogen Sulfide SCHEMBL27457713 0.81 ABL1 (0.70) ABL1ABCB1BCRLMNAMAPT
SCHEMBL13211660 0.81 ABL1 (0.84) ABL1ABCB1BCRLMNAMAPT
SCHEMBL16746693 0.80 NPC1 (0.57) LMNAMAPTCLK4HDAC4HDAC2
SCHEMBL15909996 0.80 NPC1 (0.57) LMNAMAPTCLK4HDAC4HDAC2
SCHEMBL6512448 0.80 NPC1 (0.57) LMNAMAPTCLK4HDAC4HDAC2
SCHEMBL2876291 0.79 CLK4 (0.56) ABL1ABCB1BCRMAPTCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821643-B1 SATISFACTORY EMISSION IN THE VISIBLE SPECTRUM FROM BLUE TO LONGER WAVELENGTH REGIONS XEROX CORPORATION 2004-11-23 US claimed
US-6225467-B1 UNIFORM LUMINESCENCE, ELECTROLUMINESCENT EFFICIENCY, DURABILITY, LOW DRIVING VOLTAGE; FOR USE IN FLAT-PANEL EMISSIVE DISPLAY TECHNOLOGIES, INCLUDING TELEVISION SCREENS, COMPUTER SCREENS XEROX CORPORATION 2001-05-01 US claimed
US-7777407-B2 Organic light emitting devices comprising a doped triazine electron transport layer LG DISPLAY CO., LTD. (KR) 2010-08-17 US disclosed
US-20090102373-A1 Electroluminescent device HAYOZ PASCAL 2009-04-23 US disclosed
US-20080199726-A1 Electroluminescent Device CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-21 US disclosed
US-20060251920-A1 Organic light emitting devices comprising a doped triazine electron transport layer XEROX CORPORATION 2006-11-09 US disclosed
US-20060251919-A1 Organic light emitting devices XEROX CORPORATION 2006-11-09 US disclosed
EP-1597938-A2 ELECTROLUMINESCENT DEVICE Ciba SC Holding AG (CH) 2005-11-23 EP disclosed
US-6821643-B1 SATISFACTORY EMISSION IN THE VISIBLE SPECTRUM FROM BLUE TO LONGER WAVELENGTH REGIONS XEROX CORPORATION 2004-11-23 US disclosed
WO-2004077885-A2 ELECTROLUMINESCENT DEVICE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-09-10 WO disclosed
US-6225467-B1 UNIFORM LUMINESCENCE, ELECTROLUMINESCENT EFFICIENCY, DURABILITY, LOW DRIVING VOLTAGE; FOR USE IN FLAT-PANEL EMISSIVE DISPLAY TECHNOLOGIES, INCLUDING TELEVISION SCREENS, COMPUTER SCREENS XEROX CORPORATION 2001-05-01 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-20090102373-A1 Electroluminescent device TAAR5, TYR, TRPC5 ABL1 438/4885ABCB1 3634/4885BCR 1853/4885
US-20080199726-A1 Electroluminescent Device TPMT, THPO, KYNU ABL1 627/4885ABCB1 2773/4885BCR 2285/4885

“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.