SCHEMBL22156540

SCHEMBL22156540

CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4c(F)cccc4F)c(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)cc3C#N)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31
IMPDH2 P12268 1/20 0.31
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
ALDH1A1 P00352 2/20 0.30
AR P10275 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL22158292 0.97 GABRA1 (0.32) KIF11JAK2BTKGABRA1GABRG2
SCHEMBL22158293 0.95 AR (0.34) KIF11PPARGPPARAIMPDH2GABRA1
SCHEMBL22157150 0.94 KIF11 (0.34) KIF11IMPDH2JAK2BTKGABRA1
SCHEMBL22158300 0.91 GABRA1 (0.32) KIF11JAK2BTKGABRA1GABRG2
SCHEMBL22156519 0.89 MAP4K1 (0.35) JAK2BTKGABRA1GABRG2GABRB3
SCHEMBL22156518 0.88 AR (0.34) KIF11IMPDH2GABRA1GABRG2GABRB3
SCHEMBL21898693 0.88 KIF11 (0.38) KIF11PPARGPPARAAR
SCHEMBL22156404 0.85 KIF11 (0.34) KIF11IMPDH2GABRA1GABRG2GABRB3
SCHEMBL22156551 0.84 MAP4K1 (0.33) IMPDH2ALDH1A1ARSMN1; SMN2MEN1
SCHEMBL22156549 0.84 MAP4K1 (0.33) IMPDH2ALDH1A1ARSMN1; SMN2MEN1

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 KIF11 4485/4885PPARG 4403/4885PPARA 4759/4885

“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.