SCHEMBL23029121

SCHEMBL23029121

CC(C)(C)c1ccc(-n2c3cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)ccc3c3cc4ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.34
▸ PTGES O14684 1/20 0.34
▸ MDM2 Q00987 1/20 0.33
▸ PPARA Q07869 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KIF11 P52732 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL21452155 0.96 PTGES (0.35) PPARGPTGESMDM2PPARAALDH1A1
SCHEMBL21452176 0.93 PPARG (0.35) PPARGPTGESMDM2PPARAALDH1A1
SCHEMBL23029042 0.93 PPARG (0.35) PPARGPTGESMDM2PPARAALDH1A1
SCHEMBL21452024 0.91 MAT2A (0.34) PPARGPPARAALDH1A1MAPTMAPK1
SCHEMBL21452027 0.90 MAT2A (0.35) PPARGPPARAALDH1A1MAPTMAPK1
SCHEMBL23029120 0.90 FGFR1 (0.35) —
SCHEMBL21452056 0.89 OPRD1 (0.32) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL22080529 0.88 PTGES (0.37) PPARGPTGESALDH1A1MAPTMAPK1
SCHEMBL24032436 0.87 KDM4E (0.39) —
SCHEMBL23029156 0.85 KIF11 (0.36) PPARGPPARAKIF11

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 1 patent. 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

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 2236/4885PTGES 2404/4885MDM2 994/4885

“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.

Send feedback