SCHEMBL3963459

SCHEMBL3963459

C(=Cc1ccccc1-c1ccccc1)c1ccc(-c2ccc(C=Cc3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
CA1 P00915 1/20 0.47
MGLL Q99685 1/20 0.47
PELI1 Q96FA3 2/20 0.46
NFE2L2 Q16236 7/20 0.45
TRPA1 O75762 2/20 0.45
HDAC2 Q92769 3/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41

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
SCHEMBL28161230 0.96 NFE2L2 (0.50) BACE1CA1MGLLPELI1NFE2L2
SCHEMBL536598 0.91 NFE2L2 (0.54) BACE1PELI1NFE2L2TRPA1GRIN2D
SCHEMBL536597 0.91 NFE2L2 (0.54) BACE1PELI1NFE2L2TRPA1GRIN2D
SCHEMBL28016339 0.89 NFE2L2 (0.52) BACE1PELI1NFE2L2TRPA1GRIN2D
SCHEMBL15484098 0.89 PELI1 (0.51) BACE1CA1MGLLPELI1NFE2L2
Bromide SCHEMBL27518372 0.89 NFE2L2 (0.52) BACE1PELI1NFE2L2TRPA1GRIN2D
SCHEMBL15484097 0.89 PELI1 (0.51) BACE1CA1MGLLPELI1NFE2L2
SCHEMBL29244372 0.87 ALDH1A1 (0.48) BACE1NFE2L2TRPA1HDAC2HDAC1
Biphenyl SCHEMBL15319559 0.87 NFE2L2 (0.54) BACE1CA1MGLLPELI1NFE2L2
SCHEMBL284706 0.87 GRIN2D (0.48) BACE1PELI1NFE2L2TRPA1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220407011-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING ORGANIC COMPOUND, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE SOULBRAIN CO., LTD. (KR) 2022-12-22 US disclosed
US-20220407012-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING ORGANIC COMPOUND, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE SOULBRAIN CO., LTD. (KR) 2022-12-22 US disclosed
WO-2021086142-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE 솔브레인 주식회사 2021-05-06 WO disclosed
WO-2021086143-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND DISPLAY DEVICE COMPRISING ORGANIC LIGHT-EMITTING DIODE 솔브레인 주식회사 2021-05-06 WO disclosed
US-20190006592-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME MATERIAL SCIENCE CO., LTD. (KR) 2019-01-03 US disclosed
US-7518141-B2 Multicolor organic light emitting apparatus CANON KABUSHIKI KAISHA (JP) 2009-04-14 US disclosed
US-20070228367-A1 MULTICOLOR ORGANIC LIGHT EMITTING APPARATUS CANON KABUSHIKI KAISHA (JP) 2007-10-04 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 (3 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-20190006592-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME OCIAD1, OCIAD2, ORC3 BACE1 857/4885CA1 3953/4885MGLL 1230/4885
US-20220407011-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING ORGANIC COMPOUND, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE OCIAD1, AOX1, OXER1 BACE1 291/4885CA1 3675/4885MGLL 393/4885
US-20220407012-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING ORGANIC COMPOUND, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE OCIAD1, AOX1, OXER1 BACE1 305/4885CA1 3942/4885MGLL 447/4885

“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.