SCHEMBL2401437

SCHEMBL2401437

CC(C)(C)c1cc2cccc3c4c(C(C)(C)C)c(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.30
ERBB2 P04626 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL28939836 0.86 CYP1A2 (0.42) KIF11ERBB2CYP1A2FYNMAOA
SCHEMBL31515156 0.86 CYP1A2 (0.42) KIF11ERBB2CYP1A2FYNMAOA
SCHEMBL16244634 0.82 KIF11 (0.32) KIF11CYP1A2
SCHEMBL28415409 0.81 NR1I2 (0.31)
SCHEMBL28522288 0.81 CYP1A2 (0.41) KIF11ERBB2CYP1A2FYNMAOA
SCHEMBL133411 0.81 CYP1A2 (0.39) KIF11ERBB2CYP1A2FYNMAOA
SCHEMBL29818226 0.79 ALDH1A1 (0.41) KIF11ERBB2CYP1A2FYNMAOA
SCHEMBL22534075 0.79 ALDH1A1 (0.41) KIF11ERBB2CYP1A2FYNMAOA
SCHEMBL925882 0.79 CYP1A2 (0.42) KIF11ERBB2CYP1A2FYNMAOA
SCHEMBL515458 0.79 ALDH1A1 (0.41) KIF11ERBB2CYP1A2FYNMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11171292-B2 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device in which the anthracene derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-11-09 US disclosed
US-20180083191-A1 ORGANIC COMPOUND, ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE IN WHICH THE ANTHRACENE DERIVATIVE IS USED SEMICONDUCTOR ENERGY LAB (JP) 2018-03-22 US disclosed
EP-3028320-A1 ELECTRO-OPTICAL DEVICE AND USE THEREOF Merck Patent GmbH (DE) 2016-06-08 EP disclosed
EP-2688646-A1 ORGANIC IONIC FUNCTIONAL MATERIALS Merck Patent GmbH (DE) 2014-01-29 EP disclosed
EP-2545600-A2 RADIATIVE FIBERS Merck Patent GmbH (DE) 2013-01-16 EP disclosed
WO-2012126566-A1 ORGANIC IONIC FUNCTIONAL MATERIALS MERCK PATENT GMBH (DE) 2012-09-27 WO disclosed
WO-2011110275-A2 RADIATIVE FIBERS MERCK PATENT GMBH (DE) 2011-09-15 WO disclosed
US-7649211-B2 Organic light emitting element SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-01-19 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-11171292-B2 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device in which the anthracene derivative is used CYP1A1, CYP1A2, XPOT KIF11 4103/4885ERBB2 3373/4885CYP1A2 2/4885

“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.