Sugi Predict

Sugi Predict / Compounds / SCHEMBL10064010

SCHEMBL10064010

SCHEMBL10064010

c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)cc3)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.42
▸ ESR2 Q92731 9/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ ACHE P22303 3/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34

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
SCHEMBL10063979 0.97 ESR1 (0.44) ESR1ESR2L3MBTL1KDM4EMAPT
SCHEMBL10063935 0.97 ESR1 (0.44) ESR1ESR2L3MBTL1KDM4EMAPT
SCHEMBL14505921 0.97 ESR1 (0.40) ESR1ESR2L3MBTL1KDM4EMAPT
SCHEMBL10063992 0.97 ESR1 (0.40) ESR1ESR2L3MBTL1KDM4EMAPT
SCHEMBL10063955 0.97 ESR1 (0.44) ESR1ESR2L3MBTL1KDM4EMAPT
SCHEMBL10063879 0.95 ESR1 (0.42) ESR1ESR2L3MBTL1KDM4EMAPT
SCHEMBL16805208 0.95 ALDH1A1 (0.38) ESR1ESR2L3MBTL1KDM4EMAPT
SCHEMBL15887975 0.95 ESR1 (0.45) ESR1ESR2KDM4EALDH1A1CYP1A2
SCHEMBL10085752 0.95 ESR1 (0.41) ESR1ESR2L3MBTL1KDM4EMAPT
SCHEMBL2620679 0.93 ALDH1A1 (0.39) ESR1ESR2L3MBTL1KDM4EMAPT

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.