SCHEMBL12796369

SCHEMBL12796369

C[Si]1(C)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ ANPEP P15144 1/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ MET P08581 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2D6 P10635 2/20 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
SCHEMBL12796277 0.95 ALDH1A1 (0.33) TSHRHIF1AALDH1A1HPGDMAPK1
SCHEMBL18904359 0.92 ALDH1A1 (0.35) TSHRHIF1AALDH1A1HPGDMAPK1
SCHEMBL12796344 0.92 HDAC4 (0.36) TSHRHIF1AHDAC4HDAC2HDAC8
SCHEMBL12796377 0.90 GSTP1 (0.32) HDAC4HDAC2HDAC8GSTP1GPR84
SCHEMBL18904347 0.89 GSTP1 (0.37) TSHRHIF1AALDH1A1HPGDHSD17B10
SCHEMBL13304168 0.89 NTSR1 (0.36) TSHRHIF1AALDH1A1HDAC4HDAC2
SCHEMBL18904366 0.88 ALDH1A1 (0.36) TSHRHIF1AALDH1A1HPGDMAPK1
SCHEMBL18904379 0.88 CRHBP (0.34) TSHRHIF1AALDH1A1HPGDMAPK1
SCHEMBL12796335 0.88 GSTP1 (0.36) TSHRHIF1AHDAC4HDAC2HDAC8
SCHEMBL12796362 0.88 ERBB2 (0.34) HDAC4HDAC2HDAC8GSTP1GPR84

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 TSHR 4210/4885HIF1A 4502/4885ALDH1A1 216/4885

“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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