SCHEMBL22080529

SCHEMBL22080529

CC(C)(C)c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c4cc5cc6c7ccc(N(c8ccc(-c9ccc%10ccccc%10c9)cc8)c8ccc(C(C)(C)C)cc8)cc7n(-c7ccccc7)c6cc5cc4n(-c4ccccc4)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR1D P28221 1/20 0.33
▸ SGK1 O00141 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ PPARG P37231 3/20 0.31
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ ATM Q13315 2/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL21452027 0.91 MAT2A (0.35) ALDH1A1MAPTMAPK1NPSR1MAPK8
SCHEMBL21452155 0.90 PTGES (0.35) PTGESALDH1A1MAPTMAPK1NPSR1
SCHEMBL21452024 0.90 MAT2A (0.34) ALDH1A1MAPTMAPK1NPSR1MAPK8
SCHEMBL21450464 0.90 ESR1 (0.36) PTGESALDH1A1HTR1DTP53SMN1; SMN2
SCHEMBL23029121 0.88 PPARG (0.34) PTGESALDH1A1MAPTMAPK1NPSR1
SCHEMBL26410980 0.88 MAT2A (0.31) ALDH1A1MAPTMAPK1NPSR1MAT2A
SCHEMBL26410790 0.88 PTGES (0.33) PTGESSGK1MAT2AATMKDM4E
SCHEMBL23029042 0.88 PPARG (0.35) PTGESALDH1A1MAPTMAPK1NPSR1
SCHEMBL21452176 0.88 PPARG (0.35) PTGESALDH1A1MAPTMAPK1NPSR1
SCHEMBL26410616 0.87 MAT2A (0.33) PTGESALDH1A1MAPTMAPK1NPSR1

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-11618757-B2 Polycyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2023-04-04 — — US disclosed
US-20200181165-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2020-06-11 — — 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 (2 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-20200181165-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 PTGES 922/4885ALDH1A1 54/4885MAPT 1043/4885
US-11618757-B2 Polycyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 PTGES 922/4885ALDH1A1 54/4885MAPT 1043/4885

“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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