SCHEMBL20204539

SCHEMBL20204539

c1ccc(-c2cccc(Nc3ccc4c(ccc5ccccc54)c3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
EPHX2 P34913 1/20 0.47
MAPT P10636 2/20 0.46
MAPK14 Q16539 3/20 0.46
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CDC25B P30305 1/20 0.44
ATM Q13315 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MEN1 O00255 1/20 0.44
AR P10275 1/20 0.44
KMT2A Q03164 1/20 0.44
MGLL Q99685 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL23660007 0.94 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP3A4HPGDEPHX2
SCHEMBL29303808 0.90 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4HPGDEPHX2
SCHEMBL23658604 0.90 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4HPGDEPHX2
SCHEMBL17701124 0.90 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP3A4HPGDEPHX2
SCHEMBL24056320 0.88 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4HPGDEPHX2
SCHEMBL16657696 0.88 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP3A4HPGDMAPT
SCHEMBL23822230 0.87 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP3A4HPGDMAPT
SCHEMBL18201522 0.86 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP3A4HPGDMAPT
SCHEMBL30800493 0.86 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4HPGDEPHX2
SCHEMBL25568868 0.86 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP3A4HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2022250244-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2022-12-01 WO disclosed
US-10800969-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-10-13 US disclosed
US-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-10800969-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 ALDH1A1 735/4885HSD17B10 2911/4885CYP3A4 57/4885
US-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 ALDH1A1 854/4885HSD17B10 2843/4885CYP3A4 70/4885

“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.