SCHEMBL17683003

SCHEMBL17683003

Cc1c(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)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
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ PDCD1 Q15116 2/20 0.39
▸ CD274 Q9NZQ7 2/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PPARG P37231 4/20 0.37
▸ PPARA Q07869 4/20 0.37

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
SCHEMBL17682969 1.00 MCL1 (0.45) MCL1ACMSDTLR8CA12CA1
SCHEMBL17682947 0.96 MCL1 (0.45) MCL1ACMSDTLR8CA12CA1
SCHEMBL17682964 0.93 MCL1 (0.43) MCL1ACMSDTLR8CA12CA1
SCHEMBL17683013 0.88 ESR2 (0.43) HSD17B1HSD17B2ALOX5HDAC8ESR1
SCHEMBL17682950 0.87 ESR2 (0.46) MCL1ACMSDTLR8HSD17B1HSD17B2
SCHEMBL17779761 0.85 ALDH1A1 (0.43) MCL1ACMSDCA12CA9HSD17B1
SCHEMBL17682948 0.85 MCL1 (0.43) MCL1ACMSDTLR8CA12CA1
SCHEMBL17779813 0.85 MCL1 (0.43) MCL1ACMSDTLR8CA12CA1
SCHEMBL17683009 0.81 HSD17B1 (0.46) MCL1ACMSDTLR8CA12CA1
SCHEMBL17779758 0.81 CA12 (0.45) MCL1ACMSDTLR8CA12CA1

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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