SCHEMBL21398047

SCHEMBL21398047

Fc1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(F)cc3)cc(-c3cccc(-c4cc(-c5ccccc5-c5ccc(F)cc5)cc(-c5ccccc5-c5ccc(F)cc5)c4)c3-c3ccc(-c4ncccn4)cc3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.40
MAPK14 Q16539 2/20 0.39
ADRB2 P07550 1/20 0.39
TGFBR1 P36897 1/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
ENPP1 P22413 1/20 0.38
RPS6KA3 P51812 2/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
GRM5 P41594 1/20 0.36
FABP1 P07148 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SYK P43405 1/20 0.36
SLC11A2 P49281 1/20 0.35
SQOR Q9Y6N5 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
SCHEMBL20006932 0.83 GRM5 (0.41) ADRB2NPC1RAB9AGRM5
SCHEMBL2258014 0.77 CLK4 (0.52) TOP1MAPK14ADRB2TGFBR1MEN1
SCHEMBL21398036 0.77 LDHA (0.42) MEN1NPC1RAB9AKMT2A
SCHEMBL18487218 0.75 KMT2A (0.50) TOP1MAPK14ADRB2TGFBR1MEN1
SCHEMBL21397935 0.74 TRPV1 (0.36) ADRB2TGFBR1MEN1NPC1RAB9A
SCHEMBL21397871 0.74 CYP1A2 (0.39) ADRB2KMT2AGRM5MAPTTHRB
SCHEMBL21397864 0.74 TRPV1 (0.32) ADRB2
SCHEMBL20006920 0.74 MAPT (0.55) RAB9AKMT2AMAPTTHRB
SCHEMBL21398063 0.73 HPGDS (0.46) TGFBR1NPC1RAB9AGRM5MAPT
SCHEMBL22205201 0.72 TNF (0.39) TOP1TGFBR1PTGS2PTGS1ENPP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 TOP1 3699/4885MAPK14 4500/4885ADRB2 2497/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 TOP1 3699/4885MAPK14 4500/4885ADRB2 2497/4885

“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.