SCHEMBL2200517

SCHEMBL2200517

CC(C)(COc1ccccc1)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
LTA4H P09960 3/20 0.46
HTR1B P28222 2/20 0.45
LMNA P02545 1/20 0.45
HTR1D P28221 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
KCNH2 Q12809 1/20 0.42
CA4 P22748 1/20 0.42
PKM P14618 1/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL8676776 0.89 DRD2 (0.51) KCNA3LTA4HLMNAALDH1A1KCNH2
SCHEMBL10534967 0.89 LTA4H (0.47) KCNA3LTA4HHTR1BLMNAHTR1D
SCHEMBL29235915 0.87 ALDH1A1 (0.48) KCNA3LTA4HHTR1BLMNAHTR1D
SCHEMBL10713342 0.87 KCNA3 (0.43) KCNA3LTA4HHTR1BLMNAHTR1D
SCHEMBL677488 0.85 KCNA3 (0.50) KCNA3LTA4HHTR1BLMNAHTR1D
SCHEMBL4984322 0.85 KCNA3 (0.50) KCNA3LTA4HHTR1BLMNAHTR1D
SCHEMBL22820271 0.85 LTA4H (0.46) KCNA3LTA4HHTR1BLMNAHTR1D
SCHEMBL991727 0.84 LMNA (0.39) KCNA3LTA4HHTR1BLMNAHTR1D
SCHEMBL13450149 0.83 LTA4H (0.44) KCNA3LTA4HALDH1A1CYP2D6
Boric Acid SCHEMBL29205040 0.82 ALDH1A1 (0.44) KCNA3LTA4HHTR1BLMNAHTR1D

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
EP-0866110-B1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MFG CO (JP) 2004-10-20 EP claimed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed
EP-0866110-B1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MFG CO (JP) 2004-10-20 EP disclosed
US-20010033944-A1 LIGHT-EMITTING MATERIAL FOR ORGANO-ELECTROLUMINESCENCE DEVICE AND FOR ORGANIC ELECTROLUMINESCENCE DEVICE WHICH THE MATERIAL IS APPLIED TOYO INK MANUFACTURING CO., LTD. (JP) 2001-10-25 US disclosed
US-6280859-B1 AROMATIC ELECTROLUMINESCENT MATERIAL OR NONSUBSTITUTED HETEROAROMATIC GROUP OR DIVALENT GROUP TOYO INK MANUFACTURING CO., LTD. (JP) 2001-08-28 US disclosed
EP-0934992-A1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MANUFACTURING CO., LTD. (JP) 1999-08-11 EP disclosed
EP-0866110-A1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MANUFACTURING CO., LTD. (JP) 1998-09-23 EP 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-20010033944-A1 LIGHT-EMITTING MATERIAL FOR ORGANO-ELECTROLUMINESCENCE DEVICE AND FOR ORGANIC ELECTROLUMINESCENCE DEVICE WHICH THE MATERIAL IS APPLIED L1CAM, ELP1, CRY1 KCNA3 1312/4885LTA4H 328/4885HTR1B 1577/4885

“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.