SCHEMBL21089672

SCHEMBL21089672

Oc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(-c3cccc4ccccc34)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
HTR2B P41595 1/20 0.36
LIMK1 P53667 1/20 0.36
APP P05067 2/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
CASP1 P29466 1/20 0.36
SNCA P37840 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL21089498 0.93 HSD17B1 (0.42) MCL1ACMSDRAB9AKDM4ENPC1
SCHEMBL21089195 0.90 HSD17B1 (0.40) MCL1ACMSDRAB9AKDM4ENPC1
SCHEMBL21089393 0.89 KDM4E (0.37) MCL1ACMSDRAB9AKDM4ENPC1
SCHEMBL21089462 0.88 NPC1 (0.37) MCL1ACMSDRAB9AKDM4ENPC1
SCHEMBL21089678 0.88 PDCD1 (0.38) KDM4ENPC1MAPTHTR2BALOX15
SCHEMBL21089270 0.88 KDM4E (0.38) MCL1ACMSDRAB9AKDM4ENPC1
SCHEMBL21089316 0.87 ALOX5 (0.47) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL21089269 0.87 ALOX5 (0.46) MCL1ACMSDRAB9AKDM4ENPC1
SCHEMBL21089384 0.85 NPC1 (0.42) RAB9AKDM4ENPC1MAPTNPSR1
SCHEMBL21089673 0.85 ALDH1A1 (0.47) RAB9AKDM4ENPC1MAPTNPSR1

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 MCL1 2415/4885ACMSD 2255/4885RAB9A 1899/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 MCL1 2415/4885ACMSD 2255/4885RAB9A 1899/4885

“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.