SCHEMBL21926795

SCHEMBL21926795

Clc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)ccc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.49
ADORA3 P0DMS8 2/20 0.39
TNKS O95271 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
IDO1 P14902 2/20 0.38
PDE5A O76074 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL23058684 0.97 AHR (0.50) AHRADORA3TNKSKMT2AMEN1
SCHEMBL23947895 0.95 AHR (0.55) AHRTNKSKMT2AMEN1ALDH1A1
SCHEMBL25894783 0.95 AHR (0.55) AHRTNKSKMT2AMEN1ALDH1A1
SCHEMBL21191833 0.92 AHR (0.52) AHRTNKSKMT2AMEN1ALDH1A1
SCHEMBL29918656 0.92 AHR (0.44) AHRADORA3TNKSKMT2AMEN1
SCHEMBL25019332 0.92 ALDH1A1 (0.38) AHRKMT2AMEN1ALDH1A1GAA
SCHEMBL22329530 0.92 ALDH1A1 (0.38) AHRKMT2AMEN1ALDH1A1GAA
SCHEMBL21191941 0.92 AHR (0.55) AHRKMT2ANPC1MAPK1HTT
SCHEMBL22329684 0.92 ALDH1A1 (0.38) AHRKMT2AMEN1ALDH1A1GAA
SCHEMBL23559216 0.91 PLA2G2A (0.40) AHRKMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873297-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-01-16 US disclosed
US-11873297-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-01-16 US disclosed
US-11807632-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-11807632-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
EP-3770157-B1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEMICAL LTD (KR) 2022-05-04 EP disclosed
US-20210323948-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-10-21 US disclosed
US-20210139469-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-05-13 US disclosed
EP-3770157-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME LG CHEM, LTD. (KR) 2021-01-27 EP disclosed
WO-2020085740-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-04-30 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 (4 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-11807632-B2 Heterocyclic compound and organic light emitting device comprising the same ARNT, AHR, DRD1 AHR 2/4885ADORA3 969/4885TNKS 3025/4885
US-20210323948-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CCNL2, UBE2L3, OPRL1 AHR 39/4885ADORA3 1058/4885TNKS 4000/4885
US-20210139469-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME ARNT, AHR, DRD1 AHR 2/4885ADORA3 969/4885TNKS 3025/4885
US-11873297-B2 Compound and organic light emitting device comprising the same CCNL2, UBE2L3, ARL1 AHR 44/4885ADORA3 1036/4885TNKS 4091/4885

“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.