SCHEMBL21929231

SCHEMBL21929231

CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cncc(-n4c5cc(C(C)(C)C)ccc5c5ccc(C(C)(C)C)cc54)c3-c3ccc(C#N)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
KDM1A O60341 4/20 0.39
CHEK1 O14757 2/20 0.36
CYP19A1 P11511 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
AR P10275 2/20 0.35
CYP11B2 P19099 2/20 0.34
SLC22A12 Q96S37 4/20 0.34
CACNA1H O95180 1/20 0.33

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
SCHEMBL21931742 0.94 KIF11 (0.42) KIF11KDM1ACHEK1CYP19A1FNTA
SCHEMBL21929232 0.91 KIF11 (0.48) KIF11KDM1ACHEK1CYP19A1FNTA
SCHEMBL21929224 0.89 KIF11 (0.43) KIF11KDM1ACYP19A1FNTAFNTB
SCHEMBL21928456 0.88 KIF11 (0.47) KIF11CYP19A1CYP11B2
SCHEMBL21929019 0.87 MAT2A (0.38) KIF11CYP11B2SLC22A12
SCHEMBL21928442 0.86 CHEK1 (0.38) KDM1ACHEK1ARCYP11B2SLC22A12
SCHEMBL21928639 0.84 CHEK1 (0.45) KIF11CHEK1ARCYP11B2SLC22A12
SCHEMBL23348414 0.84 KIF11 (0.46) KIF11KDM1ACHEK1CYP19A1
SCHEMBL21931740 0.84 CHEK1 (0.40) KDM1ACHEK1CYP19A1ARCYP11B2
SCHEMBL19913144 0.83 KIF11 (0.39) KIF11KDM1ACYP19A1

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 KIF11 4417/4885KDM1A 2543/4885CHEK1 3808/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA KIF11 3588/4885KDM1A 3491/4885CHEK1 1237/4885

“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.