SCHEMBL21452176

SCHEMBL21452176

CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3cc4c5ccc(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)cc5n(-c5ccc(C(C)(C)C)cc5)c4cc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.35
▸ PPARA Q07869 2/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL23029042 1.00 PPARG (0.35) PPARGPPARACYP2D6NPSR1MEN1
SCHEMBL21452024 0.98 MAT2A (0.34) PPARGPPARACYP2D6NPSR1MEN1
SCHEMBL21452027 0.96 MAT2A (0.35) PPARGPPARACYP2D6NPSR1MEN1
SCHEMBL21452155 0.95 PTGES (0.35) PPARGPPARACYP2D6NPSR1MEN1
SCHEMBL23029121 0.93 PPARG (0.34) PPARGPPARACYP2D6NPSR1MAPK8
SCHEMBL23029156 0.92 KIF11 (0.36) PPARGPPARAKIF11
SCHEMBL21452165 0.92 KIF11 (0.36) PPARGPPARAKIF11
SCHEMBL21452156 0.91 CYP2D6 (0.31) CYP2D6NPSR1MEN1RAB9AKMT2A
SCHEMBL23029040 0.90 TSHR (0.37) PPARGNR1H4
SCHEMBL21452049 0.90 CCR9 (0.34) PPARGPPARANR1H4MAT2AKIF11

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 PPARG 2236/4885PPARA 2496/4885CYP2D6 1028/4885

“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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