SCHEMBL17682947

SCHEMBL17682947

Cc1c(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)c2)cccc1-c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.45
▸ ACMSD Q8TDX5 1/20 0.45
▸ TLR8 Q9NR97 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38

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
SCHEMBL17683003 0.96 MCL1 (0.45) MCL1ACMSDTLR8CYP1A2ALOX5
SCHEMBL17682969 0.96 MCL1 (0.45) MCL1ACMSDTLR8CYP1A2ALOX5
SCHEMBL17682964 0.89 MCL1 (0.43) MCL1ACMSDTLR8CYP1A2CA12
SCHEMBL17682950 0.88 ESR2 (0.46) MCL1ACMSDTLR8CYP1A2ALOX5
SCHEMBL17779761 0.86 ALDH1A1 (0.43) MCL1ACMSDALOX5CA12CA9
SCHEMBL17683013 0.86 ESR2 (0.43) CYP1A2ALOX5SLC6A2SLC6A4SLC6A3
SCHEMBL17682948 0.83 MCL1 (0.43) MCL1ACMSDTLR8CYP1A2ALOX5
SCHEMBL17779813 0.83 MCL1 (0.43) MCL1ACMSDTLR8CYP1A2ALOX5
SCHEMBL24618763 0.78 MCL1 (0.49) MCL1ACMSDCA12CA1CA2
SCHEMBL22978414 0.78 MCL1 (0.45) MCL1ACMSDALOX5CHRNA1CHRNG

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-20160104847-A1 NOVEL COMPOUNDS AND USES IN DEVICES UNIVERSAL DISPLAY CORPORATION 2016-04-14 — — 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-20160104847-A1 NOVEL COMPOUNDS AND USES IN DEVICES TERT, UACA, TXN MCL1 922/4885ACMSD 317/4885TLR8 2276/4885

“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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