SCHEMBL17683012

SCHEMBL17683012

Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)cc2)cc1-c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 8/20 0.45
▸ ESR1 P03372 7/20 0.45
▸ ALOX5 P09917 2/20 0.44
▸ HSD17B1 P14061 5/20 0.43
▸ HSD17B2 P37059 5/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ ACMSD Q8TDX5 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 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
SCHEMBL17682966 0.95 HSD17B1 (0.45) ESR2ESR1ALOX5HSD17B1HSD17B2
SCHEMBL17779814 0.92 HSD17B1 (0.47) ESR2ESR1ALOX5HSD17B1HSD17B2
SCHEMBL17779758 0.88 CA12 (0.45) ESR2ESR1ALOX5HSD17B1HSD17B2
SCHEMBL17779813 0.85 MCL1 (0.43) ESR2ESR1ALOX5HSD17B1HSD17B2
SCHEMBL17682948 0.85 MCL1 (0.43) ESR2ESR1ALOX5HSD17B1HSD17B2
SCHEMBL17682968 0.85 HSD17B1 (0.45) ESR2ESR1ALOX5HSD17B1HSD17B2
SCHEMBL17779750 0.84 HSD17B1 (0.43) ESR2ESR1ALOX5HSD17B1HSD17B2
SCHEMBL17683013 0.82 ESR2 (0.43) ESR2ESR1ALOX5HSD17B1HSD17B2
SCHEMBL17779749 0.82 HSD17B1 (0.47) ESR2ESR1ALOX5HSD17B1HSD17B2
SCHEMBL17682962 0.82 HSD17B1 (0.47) ESR2ESR1ALOX5HSD17B1HSD17B2

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-20160149139-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-05-26 — — US disclosed
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 ESR2 2568/4885ESR1 1194/4885ALOX5 1932/4885

“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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