SCHEMBL21131608

SCHEMBL21131608

CC(C)(C)c1ccc2c3ccccc3n(-c3ccc(C(F)(F)F)c(-c4cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)ccc4C(F)(F)F)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
PPARG P37231 8/20 0.39
PPARA Q07869 3/20 0.39
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAT2A P31153 1/20 0.36
JAK3 P52333 1/20 0.32
AR P10275 2/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL21132070 1.00 KIF11 (0.46) KIF11PPARGPPARAKDM4EATM
SCHEMBL21131611 0.94 KIF11 (0.40) KIF11PPARGPPARAKDM4EATM
SCHEMBL21132061 0.91 KIF11 (0.52) KIF11PPARGPPARAKDM4EATM
SCHEMBL21132055 0.88 KDM4E (0.43) KIF11PPARGPPARAKDM4EATM
SCHEMBL21132054 0.88 KDM4E (0.43) KIF11PPARGPPARAKDM4EATM
SCHEMBL21131612 0.86 KCNH2 (0.38) KIF11PPARGPPARA
SCHEMBL21131778 0.85 KIF11 (0.46) KIF11PPARGPPARAKDM4EATM
SCHEMBL21131815 0.85 KDM4E (0.43) KIF11PPARGPPARAKDM4EATM
SCHEMBL21131814 0.85 KDM4E (0.43) KIF11PPARGPPARAKDM4EATM
SCHEMBL21131810 0.84 KIF11 (0.38) KIF11KDM4EATML3MBTL1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11380849-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2022-07-05 US disclosed
US-20190198778-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-11380849-B2 Organic molecules for use in optoelectronic devices OR10J3, NOX3, ORC3 KIF11 3608/4885PPARG 4056/4885PPARA 4192/4885
US-20190198778-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, NOX3 KIF11 3904/4885PPARG 4016/4885PPARA 4021/4885

“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.