SCHEMBL21089455

SCHEMBL21089455

N#Cc1ccc(-c2ccc(-c3cc(-c4ccccc4)c4nc(-c5ccccc5O)sc4c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.39
ABCG2 Q9UNQ0 5/20 0.39
ABCC1 P33527 2/20 0.37
MYC P01106 1/20 0.37
MAP4K4 O95819 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
BIRC5 O15392 1/20 0.36
PIM1 P11309 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
BCL2L1 Q07817 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL21089496 0.87 ALOX15 (0.38) ABCB1ABCG2PIM1TRPM8THRB
SCHEMBL21089408 0.86 PSMB8 (0.36) ABCB1ABCG2RAB9ATRPM8THRB
SCHEMBL21089456 0.86 ALDH1A1 (0.42) ABCB1ABCG2MYCMAP4K4GABRA1
SCHEMBL21089299 0.86 HSD17B1 (0.42) PDCD1CD274ALDH1A1HPGDBCL2L1
SCHEMBL21089318 0.85 ALOX5 (0.45) PDCD1CD274ALDH1A1HPGDBCL2L1
SCHEMBL21089184 0.84 APP (0.43) ABCB1ABCG2HSD17B10RAB9ASMN1; SMN2
SCHEMBL21089671 0.83 RAB9A (0.40) PDCD1CD274ALDH1A1HPGDBCL2L1
SCHEMBL21089489 0.81 TSHR (0.40) ABCB1ABCG2PDCD1CD274HSD17B10
SCHEMBL21089485 0.81 PDCD1 (0.43) PDCD1CD274ALDH1A1HPGDBCL2L1
SCHEMBL21089515 0.77 CYP11B1 (0.37) TRPM8

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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-31 US disclosed
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LAPTO CO., LTD. (KR) 2019-06-13 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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device CHRM1, L1CAM, CHRM4 ABCB1 3865/4885ABCG2 4022/4885ABCC1 1201/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 ABCB1 3865/4885ABCG2 4022/4885ABCC1 1201/4885

“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.