SCHEMBL12796355

SCHEMBL12796355

C[Si]1(C)c2cc(-c3cccc(-c4ccccc4)c3)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.36
▸ HSD17B2 P37059 3/20 0.36
▸ ESR1 P03372 6/20 0.35
▸ ESR2 Q92731 6/20 0.35
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PDE7A Q13946 1/20 0.32
▸ PDE7B Q9NP56 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32

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
SCHEMBL18904348 0.97 HSD17B1 (0.38) HSD17B1HSD17B2ESR1ESR2CYP11B1
SCHEMBL12796384 0.97 ESR1 (0.36) HSD17B1HSD17B2ESR1ESR2CYP11B1
SCHEMBL12796352 0.97 ESR1 (0.36) HSD17B1HSD17B2ESR1ESR2CYP11B1
SCHEMBL13304278 0.97 ESR1 (0.36) HSD17B1HSD17B2ESR1ESR2CYP11B1
SCHEMBL13304171 0.95 ESR1 (0.35) HSD17B1HSD17B2ESR1ESR2CYP11B1
SCHEMBL18904372 0.95 ESR1 (0.36) HSD17B1HSD17B2ESR1ESR2CYP11B1
SCHEMBL12796335 0.94 GSTP1 (0.36) HSD17B1HSD17B2ESR1ESR2CYP11B1
SCHEMBL18904377 0.92 ESR1 (0.37) HSD17B1HSD17B2ESR1ESR2CYP11B1
SCHEMBL18904347 0.92 GSTP1 (0.37) HSD17B1HSD17B2ESR1ESR2CYP11B1
SCHEMBL12796220 0.91 HSD17B1 (0.35) HSD17B1HSD17B2ESR1ESR2CYP11B1

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-8395144-B2 Anthracene derivatives and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2013-03-12 — — US disclosed
US-20110057182-A1 ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2011-03-10 — — 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-20110057182-A1 ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME TRPA1, AHR, ORAI2 HSD17B1 1663/4885HSD17B2 1523/4885ESR1 54/4885

“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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