SCHEMBL13298534

SCHEMBL13298534

c1ccc([SiH2]c2ccc3c(-c4cccc(-c5ccccc5)c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 4/20 0.40
▸ HSD17B2 P37059 4/20 0.40
▸ ESR1 P03372 6/20 0.38
▸ ESR2 Q92731 6/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2B6 P20813 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ GPR84 Q9NQS5 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ IKBKB O14920 1/20 0.33

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
SCHEMBL13298537 1.00 HSD17B1 (0.40) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL13298552 0.99 HSD17B1 (0.41) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL13298550 0.99 HSD17B1 (0.41) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL13298572 0.95 ESR1 (0.35) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL13298576 0.95 ESR1 (0.35) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL13298507 0.94 ESR1 (0.40) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL13298515 0.94 ESR1 (0.40) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL13298490 0.94 ESR1 (0.39) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL13298590 0.93 ESR1 (0.36) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL13298595 0.93 ESR1 (0.36) HSD17B1HSD17B2ESR1ESR2CYP1A2

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-20100133996-A1 Novel anthracene typed compound and the organic electroluminescence display device using the same DONGJIN SEMICHEM CO., LTD (KR) 2010-06-03 — — 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-20100133996-A1 Novel anthracene typed compound and the organic electroluminescence display device using the same TRPA1, TRPM2, TRPM4 HSD17B1 2150/4885HSD17B2 1943/4885ESR1 226/4885

“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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