SCHEMBL46706

SCHEMBL46706

Brc1ccc2c(c1)Oc1cc(Br)ccc1O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 12/20 1.00
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
BLM P54132 1/20 0.48
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP2A6 P11509 2/20 0.39
EGFR P00533 1/20 0.37
FLT1 P17948 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL46718 1.00 AHR (1.00) AHRLMNAMAPTHTTBLM
SCHEMBL2932917 1.00
SCHEMBL47076 0.92 AHR (1.00) AHRLMNAMAPTHTTBLM
SCHEMBL30927171 0.92 AHR (1.00) AHRLMNAMAPTHTTBLM
SCHEMBL16426127 0.86 AHR (0.74) AHRLMNAMAPTHTTBLM
SCHEMBL10448864 0.86 AHR (0.74) AHRLMNAMAPTHTTBLM
SCHEMBL16426097 0.86 AHR (0.74) AHRLMNAMAPTHTTBLM
SCHEMBL10448868 0.86 AHR (0.74) AHRLMNAMAPTHTTBLM
SCHEMBL17876625 0.86 AHR (0.79) AHRLMNAMAPTHTTBLM
SCHEMBL24277782 0.81 AHR (0.70) AHRLMNAMAPTHTTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10892423-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-12 US disclosed
US-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 US disclosed
US-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 US disclosed
US-8962779-B2 Method of forming polyaryl polymers DOW GLOBAL TECHNOLOGIES LLC (US) 2015-02-24 US disclosed
US-20150031847-A1 METHOD OF FORMING POLYARYL POLYMERS DOW GLOBAL TECHNOLOGIES LLC 2015-01-29 US disclosed
US-8633316-B2 Producing method of nitrogen containing condensed heterocyclic compound KONICA MINOLTA HOLDINGS, INC. (JP) 2014-01-21 US disclosed
US-8633316-B2 Producing method of nitrogen containing condensed heterocyclic compound KONICA MINOLTA HOLDINGS, INC. (JP) 2014-01-21 US disclosed
WO-2012003642-A1 FUSED TRICYCLIC COMPOUNDS AND USE THEREOF FOR TREATING VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-01-12 WO disclosed
US-20110184176-A1 PRODUCING METHOD OF NITROGEN CONTAINING CONDENSED HETEROCYCLIC COMPOUND KONICA MINOLTA HOLDINGS, INC. (JP) 2011-07-28 US disclosed
US-20110184176-A1 PRODUCING METHOD OF NITROGEN CONTAINING CONDENSED HETEROCYCLIC COMPOUND KONICA MINOLTA HOLDINGS, INC. (JP) 2011-07-28 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 (3 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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CCNT1 AHR 3189/4885LMNA 675/4885MAPT 1926/4885
US-10892423-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNE2, CCNT1 AHR 3189/4885LMNA 675/4885MAPT 1926/4885
US-20110184176-A1 PRODUCING METHOD OF NITROGEN CONTAINING CONDENSED HETEROCYCLIC COMPOUND C5, NISCH, CBR3 AHR 1042/4885LMNA 4129/4885MAPT 3430/4885

“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.