SCHEMBL21734471

SCHEMBL21734471

Cc1ccc(-c2cccc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
RPS6KA3 P51812 1/20 0.53
MELK Q14680 1/20 0.53
STK24 Q9Y6E0 1/20 0.53
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.42
PARP1 P09874 4/20 0.42
ADORA3 P0DMS8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
MCL1 Q07820 1/20 0.38
CHEK1 O14757 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TNKS O95271 1/20 0.37

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
SCHEMBL23972210 0.84 JAK2 (0.58) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL14912178 0.80 MAPT (0.54) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL24034931 0.77 AHR (0.46) ADORA3BCHEAR
SCHEMBL12987176 0.77 TNKS (0.44) ALDH1A1GAAKDM4EHPGDMCL1
SCHEMBL168637 0.77 JAK2 (0.61) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL19265844 0.75 ALDH1A1 (0.42) ALDH1A1ADORA3L3MBTL1KDM4EHPGD
SCHEMBL16716573 0.72 ALDH1A1 (0.46) ALDH1A1ADORA3L3MBTL1KDM4EHPGD
SCHEMBL31231938 0.72 MEN1 (0.45) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL28016576 0.72 MEN1 (0.45) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL25813712 0.72 ALDH1A1 (0.46) ALDH1A1PARP1ADORA3L3MBTL1KDM4E

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 JAK2 1805/4885RPS6KA3 4136/4885MELK 1467/4885
US-20210343949-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L1CAM, OR10J3, EPCAM JAK2 1805/4885RPS6KA3 4136/4885MELK 1467/4885

“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.