SCHEMBL20185555

SCHEMBL20185555

Brc1c2ccccc2cc2c1[nH]c1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.52
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GPR3 P46089 1/20 0.46
AHR P35869 2/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 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
SCHEMBL28761242 0.79 ALDH1A1 (0.48) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL23728995 0.78 KIF11 (0.52) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL21448308 0.78 KIF11 (0.52) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL30180889 0.78 KIF11 (0.52) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL20160606 0.78 APP (0.55) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL23875376 0.76 MEN1 (0.59) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL20200687 0.75 ESR1 (0.50) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL20200673 0.74 KIF11 (0.47) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL2641043 0.74 MAPT (0.42) KIF11ALDH1A1HSD17B10GPR3AHR
SCHEMBL31474797 0.73 KIF11 (0.55) KIF11ALDH1A1HSD17B10GPR3AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3378853-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2024-04-17 EP disclosed
CN-107709294-B Heterocyclic compound and organic light-emitting element comprising same 株式会社LG化学 2021-06-08 CN disclosed
US-10800969-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-10-13 US disclosed
EP-3378853-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2018-09-26 EP disclosed
US-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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 KIF11 4040/4885ALDH1A1 735/4885HSD17B10 2911/4885
US-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 KIF11 3969/4885ALDH1A1 854/4885HSD17B10 2843/4885

“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.