SCHEMBL21452155

SCHEMBL21452155

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ PPARG P37231 8/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL23029121 0.96 PPARG (0.34) PTGESMDM2PPARGALDH1A1MAPT
SCHEMBL21452176 0.95 PPARG (0.35) PTGESMDM2PPARGALDH1A1MAPT
SCHEMBL23029042 0.95 PPARG (0.35) PTGESMDM2PPARGALDH1A1MAPT
SCHEMBL21452024 0.93 MAT2A (0.34) PPARGALDH1A1MAPTMAPK1NPSR1
SCHEMBL21452027 0.92 MAT2A (0.35) PPARGALDH1A1MAPTMAPK1NPSR1
SCHEMBL22080529 0.90 PTGES (0.37) PTGESPPARGALDH1A1MAPTMAPK1
SCHEMBL21452025 0.90 KDM4E (0.37) ALDH1A1MAPTCYP2D6KDM4E
SCHEMBL15138173 0.89 PPARG (0.41) PTGESMDM2PPARGALDH1A1MAPT
SCHEMBL15138484 0.89 PPARG (0.41) PTGESMDM2PPARGALDH1A1MAPT
SCHEMBL21452038 0.88 KDM4E (0.38) ALDH1A1MAPTSMN1; SMN2KDM4E

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 PTGES 2404/4885MDM2 994/4885PPARG 2236/4885

“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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