SCHEMBL21734529

SCHEMBL21734529

Cc1ccc2c(c1)-c1ccccc1-c1nccc3cccc-2c13

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.56
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HIF1A Q16665 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1054548 0.85 MAOA (0.73) MAOAALDH1A1TSHRMAPK1HSD17B10
SCHEMBL23972209 0.85 MAOA (0.73) MAOAALDH1A1TSHRMAPK1HSD17B10
SCHEMBL29644349 0.85 MAOA (0.73) MAOAALDH1A1TSHRMAPK1HSD17B10
SCHEMBL23972204 0.85 MAOA (0.40) MAOAALDH1A1TSHRMAPK1HSD17B10
Fluoranthene SCHEMBL11227281 0.84 MAOA (0.71) MAOAALDH1A1TSHRMAPK1HSD17B10
SCHEMBL23972195 0.81 MAOA (0.52) MAOAALDH1A1TSHRMAPK1HSD17B10
SCHEMBL22635014 0.80 ALDH1A1 (0.58) MAOAALDH1A1TSHRMAPK1HSD17B10
SCHEMBL23972192 0.78 MAOA (0.49) MAOAALDH1A1TSHRMAPK1HSD17B10
SCHEMBL23972190 0.78 MAOA (0.39) MAOA
SCHEMBL21734473 0.75 MAOA (0.49) MAOAALDH1A1MAPK1HSD17B10HPGD

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-12041845-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2024-07-16 US disclosed
US-12041845-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2024-07-16 US disclosed
US-20210343949-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-11-04 US disclosed
WO-2020036375-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-20 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 (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-12041845-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same L1CAM, OR10J3, EPCAM MAOA 324/4885ALDH1A1 30/4885TSHR 3307/4885
US-20210343949-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L1CAM, OR10J3, EPCAM MAOA 324/4885ALDH1A1 30/4885TSHR 3307/4885

“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.