SCHEMBL21452056

SCHEMBL21452056

Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6ccc(C(C)(C)C)cc6)cc5n(-c5cccc(-c6ccccc6)c5)c4cc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ TSHR P16473 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
SCHEMBL21451743 0.93 ALDH1A1 (0.33) OPRD1ALDH1A1MAPTNPSR1LMNA
SCHEMBL23029121 0.89 PPARG (0.34) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL21452027 0.87 MAT2A (0.35) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL21452155 0.86 PTGES (0.35) ALDH1A1MAPTMAPK1NPSR1LMNA
SCHEMBL23029040 0.86 TSHR (0.37) TSHR
SCHEMBL21452024 0.86 MAT2A (0.34) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL22080529 0.85 PTGES (0.37) OPRD1ALDH1A1MAPTMAPK1NPSR1
SCHEMBL23029041 0.85 ALDH1A1 (0.38) ALDH1A1MAPTMAPK1NPSR1GAA
SCHEMBL21452156 0.84 CYP2D6 (0.31) NPSR1
SCHEMBL21452052 0.84 DHFR (0.36) ALDH1A1NPSR1GAA

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 OPRD1 12/4885ALDH1A1 216/4885MAPT 1793/4885

“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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