Sugi Predict

Sugi Predict / Compounds / SCHEMBL10064012

SCHEMBL10064012

SCHEMBL10064012

CC(C)(C)c1ccc2c(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccccc3c(-c3ccccc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.40
▸ CYP2D6 P10635 2/20 0.38
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ ACHE P22303 3/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 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
SCHEMBL10064003 1.00 KIF11 (0.40) KIF11CYP2D6TP53SMN1; SMN2PTGES
SCHEMBL10063876 0.99 KIF11 (0.39) KIF11CYP2D6TP53SMN1; SMN2PTGES
SCHEMBL10063874 0.99 KIF11 (0.39) KIF11CYP2D6TP53SMN1; SMN2PTGES
SCHEMBL260717 0.98 KIF11 (0.41) KIF11CYP2D6TP53SMN1; SMN2PTGES
SCHEMBL10085757 0.98 KIF11 (0.41) KIF11CYP2D6TP53SMN1; SMN2PTGES
SCHEMBL9963841 0.92 PTGES (0.40) KIF11CYP2D6TP53SMN1; SMN2PTGES
SCHEMBL10063977 0.91 TP53 (0.43) KIF11CYP2D6TP53SMN1; SMN2PTGES
SCHEMBL10063995 0.91 TP53 (0.43) KIF11CYP2D6TP53SMN1; SMN2PTGES
SCHEMBL10063953 0.91 TP53 (0.43) KIF11CYP2D6TP53SMN1; SMN2PTGES
SCHEMBL12770708 0.90 PTGES (0.41) KIF11CYP2D6TP53SMN1; SMN2PTGES

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 KIF11 3572/4885CYP2D6 413/4885TP53 4639/4885

“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.