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Sugi Predict / Compounds / SCHEMBL10112362

SCHEMBL10112362

SCHEMBL10112362

[C-]#[N+]c1cccc(-c2c3ccccc3c(-c3cccc([N+]#[C-])c3)c3cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc23)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DHFR P00374 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
SCHEMBL10112604 0.88 KDM4E (0.37) KDM4EL3MBTL1
SCHEMBL10112459 0.87 L3MBTL1 (0.39) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL10112363 0.84 — —
SCHEMBL8406141 0.83 ALDH1A1 (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL36956 0.83 L3MBTL1 (0.42) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4650027 0.83 L3MBTL1 (0.42) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14100083 0.82 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13886632 0.81 ALDH1A1 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL195669 0.81 ALDH1A1 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1103701 0.80 CYP1A2 (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110980-B2 Anthracene derivative, and light emitting element, light emitting device, electronic device using anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-07 — — US disclosed
US-20100164376-A1 Anthracene Derivative, and Light Emitting Element, Light Emitting Device, Electronic Device Using Anthracene Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-07-01 — — US disclosed
US-7674914-B2 novel anthracene derivative represented by General Formula (1) is provided, which enables the production of a light-emitting element with high luminous efficiency and a long lifetime. A high-performance light-emitting device and electronic device in which the anthracene derivative light emitting diode SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-03-09 — — US disclosed
US-20080103315-A1 Anthracene Derivative, and Light Emitting Element, Light Emitting Device, Electronic Device Using Anthracene Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-05-01 — — 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-20080103315-A1 Anthracene Derivative, and Light Emitting Element, Light Emitting Device, Electronic Device Using Anthracene Derivative AMY1A, CYP1A1, CRY1 KDM4E 3476/4885ALDH1A1 16/4885CYP1A2 19/4885

“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.