SCHEMBL23558095

SCHEMBL23558095

c1ccc2c(c1)[nH]c1cc(-c3cccc4oc5ccccc5c34)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.44
▸ KIF11 P52732 9/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GPR3 P46089 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 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
SCHEMBL17885394 0.91 AHR (0.44) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL26055957 0.90 CDK4 (0.41) AHRALOX5HCRTR1MAPTGABRP
SCHEMBL25470985 0.85 AHR (0.49) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL787216 0.84 ALOX5 (0.59) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL22289310 0.84 ALOX5 (0.59) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL30959748 0.84 ALOX5 (0.59) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL17885202 0.83 CASP3 (0.43) ALOX5HCRTR1MAPTGABRA1GABRG2
SCHEMBL18429996 0.83 AHR (0.52) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL30441967 0.83 AHR (0.52) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL26055933 0.82 CASP3 (0.43) AHRALDH1A1GPR3HSD17B10ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11832515-B2 Organic electroluminescent compound, organic electroluminescent material comprising the same, and organic electroluminescent device ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-11-28 — — US disclosed
US-20230276690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-08-31 — — US disclosed
US-20210193932-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-06-24 — — 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-20230276690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L1CAM, TELO2, LIMS1 AHR 4023/4885KIF11 2928/4885ALDH1A1 149/4885
US-20210193932-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, ELAVL1, ICOSLG AHR 3422/4885KIF11 1363/4885ALDH1A1 973/4885
US-11832515-B2 Organic electroluminescent compound, organic electroluminescent material comprising the same, and organic electroluminescent device OR10J3, ELAVL1, ICOSLG AHR 3422/4885KIF11 1363/4885ALDH1A1 973/4885

“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.

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