SCHEMBL22824979

SCHEMBL22824979

c1cc2c3c(cccc3c1)-c1cccc3[nH]c4cccc-2c4c13

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
HSD17B10 Q99714 7/20 0.59
MAPK1 P28482 3/20 0.59
TSHR P16473 3/20 0.59
ATM Q13315 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HPGD P15428 4/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
TP53 P04637 1/20 0.52
HIF1A Q16665 1/20 0.52
PARP1 P09874 1/20 0.48
CES2 O00748 1/20 0.48
BCHE P06276 1/20 0.48
CES1 P23141 1/20 0.48
MCL1 Q07820 1/20 0.48
PABPC1 P11940 3/20 0.46
CYP3A4 P08684 2/20 0.46
DNMT1 P26358 2/20 0.46
KDM4E B2RXH2 4/20 0.45

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
SCHEMBL23024713 0.86 CDK4 (0.46) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL21630342 0.85 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPK1TSHRATM
Fluoranthene SCHEMBL28285154 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL29671006 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL3727430 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL24245725 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL22824977 0.80 CDK4 (0.47) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL22824972 0.79 CDK4 (0.49) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL22988505 0.79 MAPK1 (0.42) ALDH1A1HSD17B10MAPK1TSHRATM
Ammonia Solution, Strong SCHEMBL27626211 0.78 ALDH1A1 (0.81) ALDH1A1HSD17B10MAPK1TSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220255017-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-08-11 US disclosed
WO-2021029715-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-02-18 WO disclosed
WO-2021018270-A1 HOST COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 浙江华显光电科技有限公司 2021-02-04 WO disclosed
WO-2020256376-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-12-24 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 (1 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-20220255017-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, ICOSLG, TRPM4 ALDH1A1 762/4885HSD17B10 2808/4885MAPK1 2671/4885

“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.