SCHEMBL10108736

SCHEMBL10108736

Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 2/20 0.39
DHODH Q02127 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.36
PIK3CA P42336 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MAPT P10636 1/20 0.35
TSPO P30536 1/20 0.35
TACR1 P25103 2/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL10108767 0.98 DHODH (0.39) KIF11PPARGPPARADHODHESR1
SCHEMBL14092849 0.96 KIF11 (0.39) KIF11PPARGPPARADHODHESR1
SCHEMBL12853006 0.96 PPARG (0.39) KIF11PPARGPPARAKDM4EATM
SCHEMBL10108552 0.94 KIF11 (0.39) KIF11PPARGPPARADHODHESR1
SCHEMBL262726 0.93 KIF11 (0.42) KIF11PPARGPPARADHODHKDM4E
SCHEMBL262748 0.93 KIF11 (0.42) KIF11PPARGPPARADHODHKDM4E
SCHEMBL10108541 0.92 KIF11 (0.39) KIF11PPARGPPARAKDM4EATM
SCHEMBL10108386 0.92 PPARG (0.40) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL262729 0.91 KDM4E (0.45) KIF11PPARGPPARADHODHKDM4E
SCHEMBL262383 0.91 PPARG (0.43) KIF11PPARGPPARADHODHKDM4E

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-9136479-B2 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device using the anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-09-15 US disclosed
US-20150004731-A1 ORGANIC COMPOUND, ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE USING THE ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LAB (JP) 2015-01-01 US disclosed
US-8816098-B2 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device using the anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-08-26 US disclosed
US-8530672-B2 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device using anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-09-10 US disclosed
US-20120309984-A1 ORGANIC COMPOUND, ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE USING ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-12-06 US disclosed
US-8278655-B2 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device using anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-02 US disclosed
EP-1972619-B1 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device using anthracene derivative SEMICONDUCTOR ENERGY LAB (JP) 2012-08-15 EP disclosed
US-20120104379-A1 ORGANIC COMPOUND, ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE USING ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-03 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 (2 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-20120104379-A1 ORGANIC COMPOUND, ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE USING ANTHRACENE DERIVATIVE CYP1A1, XPO7, AMY1A KIF11 4217/4885PPARG 1293/4885PPARA 2260/4885
US-20120309984-A1 ORGANIC COMPOUND, ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE USING ANTHRACENE DERIVATIVE CYP1A1, XPO7, AMY1A KIF11 4217/4885PPARG 1293/4885PPARA 2260/4885

“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.