SCHEMBL2293036

SCHEMBL2293036

Brc1ccc2ccc3ccc(-c4ccccc4)c4ccc1c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 3/20 0.43
CYP1A2 P05177 3/20 0.42
CYP1B1 Q16678 5/20 0.36
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
THRB P10828 1/20 0.35
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
TNF P01375 1/20 0.33
PARP1 P09874 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ANPEP P15144 1/20 0.32
IL1RN P18510 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
CDK4 P11802 1/20 0.32

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
SCHEMBL2292638 1.00 ALDH1A1 (0.43) ALDH1A1MAPK1CYP1A2CYP1B1HPGD
SCHEMBL28849046 0.91 ALDH1A1 (0.44) ALDH1A1MAPK1CYP1A2CYP1B1HPGD
SCHEMBL22256169 0.90 CRHBP (0.39) ALDH1A1MAPK1CYP1A2CYP1B1HPGD
SCHEMBL30044509 0.89 ALDH1A1 (0.41) ALDH1A1MAPK1CYP1A2CYP1B1HPGD
SCHEMBL28031158 0.89 ALDH1A1 (0.41) ALDH1A1MAPK1CYP1A2HPGDHSD17B10
SCHEMBL28136349 0.89 ALDH1A1 (0.41) ALDH1A1MAPK1CYP1A2CYP1B1HPGD
SCHEMBL16632947 0.88 CYP1A2 (0.41) ALDH1A1MAPK1CYP1A2CYP1B1HPGD
Biphenyl SCHEMBL27806904 0.88 ALDH1A1 (0.42) ALDH1A1MAPK1CYP1A2CYP1B1HPGD
SCHEMBL3809322 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1CYP1A2HPGDHSD17B10
SCHEMBL2207895 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1CYP1A2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11296282-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-04-05 US disclosed
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-06-25 US disclosed
EP-2128217-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2016-02-17 EP disclosed
CN-101627102-B Light-emitting device material and light-emitting device TORAY INDUSTRIES 2013-08-28 CN disclosed
US-7989802-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2011-08-02 US disclosed
US-20100038634-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-02-18 US disclosed
CN-101627102-A Light-emitting device material and light-emitting device TORAY INDUSTRIES 2010-01-13 CN disclosed
EP-2128217-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE Toray Industries, Inc. (JP) 2009-12-02 EP 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-11296282-B2 Organic compound and organic electroluminescence device using the same SLCO4C1, EML4, SLCO2A1 ALDH1A1 386/4885MAPK1 2749/4885CYP1A2 911/4885
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, EML4, SLCO2A1 ALDH1A1 386/4885MAPK1 2749/4885CYP1A2 911/4885

“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.