SCHEMBL22985696

SCHEMBL22985696

N#Cc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-c2ccc(C(F)(F)F)cc2C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AR P10275 4/20 0.31
KIF11 P52732 1/20 0.31
MAT2A P31153 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL22985618 0.93 KIF11 (0.33) PPARGPPARAARKIF11
SCHEMBL22985097 0.93 KIF11 (0.33) PPARGPPARAARKIF11
SCHEMBL22985468 0.93 KIF11 (0.33) PPARGPPARAARKIF11
SCHEMBL20848509 0.91 PPARG (0.33) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL22985516 0.90 ALOX5AP (0.38) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL22985063 0.90 KIF11 (0.33) PPARGPPARAARKIF11
SCHEMBL22985084 0.89 PPARG (0.34) PPARGPPARAARKIF11
SCHEMBL22985695 0.89 KIF11 (0.30) KIF11
SCHEMBL22985211 0.89 ALOX5AP (0.36) KIF11
SCHEMBL22985067 0.89 KIF11 (0.33) PPARGPPARAARKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919880-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-02-16 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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 PPARG 326/4885PPARA 697/4885KDM4E 1604/4885

“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.