SCHEMBL21842939

SCHEMBL21842939

CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4c5ccccc5c(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4n(-c4ccccc4)c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARG P37231 4/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAT2A P31153 1/20 0.31
▸ PPARA Q07869 2/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31

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
SCHEMBL21451732 0.93 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL21923862 0.91 KDM4E (0.36) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL25561276 0.90 MAPK1 (0.34) ALDH1A1MAPTMAPK1NPSR1KIF11
SCHEMBL26444952 0.90 MAPK1 (0.34) ALDH1A1MAPTMAPK1NPSR1KIF11
SCHEMBL24713746 0.90 MAPK1 (0.34) ALDH1A1MAPTMAPK1NPSR1KIF11
SCHEMBL21923350 0.90 MAPK1 (0.38) ALDH1A1MAPTMAPK1NPSR1KIF11
SCHEMBL26444931 0.89 NPSR1 (0.34) ALDH1A1MAPTMAPK1NPSR1KIF11
SCHEMBL25561285 0.88 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1NPSR1KIF11
SCHEMBL21923347 0.86 ALDH1A1 (0.38) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL21923349 0.84 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131124-A1 COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2020-04-30 — — US disclosed
WO-2020060283-A1 ORGANIC LIGHT EMITTING DIODE 주식회사 엘지화학 2020-03-26 — — 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-20200131124-A1 COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 ALDH1A1 21/4885MAPT 928/4885MAPK1 2019/4885

“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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