SCHEMBL23790602

SCHEMBL23790602

c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc(-c5ccccc5)cc4cc3-c3ccccc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ PGR P06401 2/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ AR P10275 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ MGLL Q99685 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
SCHEMBL23790449 0.94 KDM4E (0.34) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL23790642 0.91 CA12 (0.41) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL23790429 0.91 PSMB5 (0.33) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL23790446 0.90 MEN1 (0.33) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL23790607 0.88 CA12 (0.35) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL23790403 0.88 ESR1 (0.37) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL23790445 0.87 CA12 (0.41) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL23790410 0.86 ESR1 (0.38) HSD17B1HSD17B2KDM4EMEN1ALDH1A1
SCHEMBL23790627 0.85 MGLL (0.35) HSD17B1HSD17B2KDM4EALDH1A1NPC1
SCHEMBL23790400 0.85 MGLL (0.35) HSD17B1HSD17B2KDM4EALDH1A1NPC1

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-20210280786-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND DIAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-09-09 — — 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-20210280786-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND DIAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE AOC1, ODC1, SAT1 HSD17B1 2515/4885HSD17B2 3087/4885KDM4E 1642/4885

“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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