SCHEMBL21451747

SCHEMBL21451747

CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cc5n(-c5ccc(-c6ccccc6)cc5)c4cc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ CASR P41180 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ UCHL3 P15374 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ DHODH Q02127 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ MAPK13 O15264 1/20 0.30
▸ MAPK12 P53778 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
SCHEMBL23029123 0.90 TDP1 (0.33) DHFRMAT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL23029174 0.90 MAPT (0.30) RAB9A
SCHEMBL13089977 0.88 MAT2A (0.39) DHFRMAT2ATDP1KDM4E
SCHEMBL21452038 0.88 KDM4E (0.38) MAT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL23029041 0.87 ALDH1A1 (0.38) SMN1; SMN2MEN1ALDH1A1HTTRAB9A
SCHEMBL21452025 0.87 KDM4E (0.37) MAT2AALDH1A1TDP1KDM4E
SCHEMBL23029118 0.86 MAPK10 (0.34) F2F10PRSS1
SCHEMBL13089979 0.86 MAPK10 (0.32) MAT2ACASRSMN1; SMN2MEN1NPC1
SCHEMBL21076167 0.86 MAT2A (0.39) MAT2ASMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL24374025 0.85 KDM4E (0.41) MEN1ALDH1A1HTTKMT2AKDM4E

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 DHFR 893/4885MAT2A 1163/4885CASR 4857/4885

“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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