SCHEMBL21452024

SCHEMBL21452024

CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3cc4c5ccc(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)cc5n(-c5ccccc5)c4cc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 5/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PPARG P37231 7/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PPARA Q07869 2/20 0.32
▸ PRMT5 O14744 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL21452027 0.99 MAT2A (0.35) MAT2AMAPK8KDM4EATML3MBTL1
SCHEMBL23029042 0.98 PPARG (0.35) MAT2AMAPK8KDM4EATML3MBTL1
SCHEMBL21452176 0.98 PPARG (0.35) MAT2AMAPK8KDM4EATML3MBTL1
SCHEMBL21452155 0.93 PTGES (0.35) MAPK8KDM4EPPARGNPSR1CYP2D6
SCHEMBL23029121 0.91 PPARG (0.34) MAPK8PPARGNPSR1CYP2D6ALDH1A1
SCHEMBL23029181 0.91 KDM4E (0.41) MAT2AKDM4EATML3MBTL1CYP2D6
SCHEMBL21452156 0.91 CYP2D6 (0.31) NPSR1CYP2D6MEN1RAB9AKMT2A
SCHEMBL21452043 0.90 KIF11 (0.37) MAT2AMAPK8L3MBTL1PPARGNPSR1
SCHEMBL22080529 0.90 PTGES (0.37) MAT2AMAPK8KDM4EATML3MBTL1
SCHEMBL23514021 0.90 KDM4E (0.41) MAT2AMAPK8KDM4EATML3MBTL1

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-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-25 — — US disclosed
WO-2019194617-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-10 — — 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-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, RNF10, DRD2 MAT2A 1163/4885MAPK8 3617/4885KDM4E 2073/4885

“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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