Sugi Predict

Sugi Predict / Compounds / SCHEMBL10063992

SCHEMBL10063992

SCHEMBL10063992

c1ccc(-c2c3ccccc3c(-c3ccc4cc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3)c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.40
▸ ESR2 Q92731 6/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ACHE P22303 3/20 0.36
▸ HSD17B1 P14061 2/20 0.36
▸ HSD17B2 P37059 2/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ ALOX5 P09917 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL14505921 1.00 ESR1 (0.40) ESR1ESR2L3MBTL1CYP1A2CYP3A4
SCHEMBL16805208 0.98 ALDH1A1 (0.38) ESR1ESR2L3MBTL1CYP1A2CYP3A4
SCHEMBL2620679 0.97 ALDH1A1 (0.39) ESR1ESR2L3MBTL1CYP1A2CYP3A4
SCHEMBL10064010 0.97 ESR1 (0.42) ESR1ESR2L3MBTL1CYP1A2CYP3A4
SCHEMBL12721936 0.93 ALDH1A1 (0.37) ESR1ESR2L3MBTL1CYP1A2CYP3A4
SCHEMBL10063935 0.93 ESR1 (0.44) ESR1ESR2L3MBTL1CYP1A2CYP3A4
SCHEMBL10063979 0.93 ESR1 (0.44) ESR1ESR2L3MBTL1CYP1A2CYP3A4
SCHEMBL10063955 0.93 ESR1 (0.44) ESR1ESR2L3MBTL1CYP1A2CYP3A4
SCHEMBL13158749 0.93 ESR1 (0.41) ESR1ESR2L3MBTL1CYP1A2CYP3A4
SCHEMBL21207232 0.92 ESR1 (0.38) ESR1ESR2L3MBTL1CYP1A2CYP3A4

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-8110122-B2 Anthracene derivative, material for light-emitting element, light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-07 — — US disclosed
US-8110122-B2 Anthracene derivative, material for light-emitting element, light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-07 — — US disclosed
US-20100051926-A1 Anthracene Derivative, Material for Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-03-04 — — US disclosed
US-20100051926-A1 Anthracene Derivative, Material for Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-03-04 — — 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 (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-20100051926-A1 Anthracene Derivative, Material for Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance NR2E3, ARL1, RER1 ESR1 30/4885ESR2 12/4885L3MBTL1 1601/4885

“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.