SCHEMBL12796261

SCHEMBL12796261

C[Si]1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4c(-c4ccc5ccccc5c4)c3cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ PPARG P37231 9/20 0.33
▸ PPARA Q07869 9/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC4 P56524 1/20 0.31

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
SCHEMBL12796204 0.95 HDAC4 (0.35) CA12CA1CA2CA9PPARG
SCHEMBL13304222 0.94 CA12 (0.33) CA12CA1CA2CA9PPARG
SCHEMBL13304259 0.93 PIM1 (0.33) CA12CA1CA2CA9PIM1
SCHEMBL12796251 0.93 ESR1 (0.36) CA1CA2CA9CYP2C9CYP2C19
SCHEMBL13344667 0.93 CA12 (0.33) CA12CA1CA2CA9PIM1
SCHEMBL12796197 0.92 HDAC4 (0.35) CA1CA2CA9CYP2C9CYP2C19
SCHEMBL12796244 0.92 HDAC4 (0.35) PIM1CYP2C9CYP2C19ESR1ESR2
SCHEMBL12796270 0.91 PIM1 (0.35) CA12CA1CA2CA9PIM1
SCHEMBL12796220 0.91 HSD17B1 (0.35) CA1CA2CA9CYP2C9CYP2C19
SCHEMBL12796280 0.91 HDAC4 (0.36) CYP2C9CYP2C19HDAC8HDAC4HDAC2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10720473-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-21 — — US disclosed
US-20190296091-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 — — US disclosed
US-10361252-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 — — US disclosed
US-20180040827-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-08 — — US disclosed
US-20180040827-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-08 — — US disclosed
US-20170154931-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 — — US disclosed
US-20170154931-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 — — US disclosed
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 CA12 1861/4885CA1 2109/4885CA2 1570/4885

“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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