SCHEMBL21929232

SCHEMBL21929232

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cncc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.48
KDM1A O60341 8/20 0.44
CYP19A1 P11511 3/20 0.39
CYP11B2 P19099 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
AR P10275 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1G2 P78368 1/20 0.36
SLC22A12 Q96S37 2/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL21929224 0.94 KIF11 (0.43) KIF11KDM1ACYP19A1CYP11B2FNTA
SCHEMBL21929231 0.91 KIF11 (0.47) KIF11KDM1ACYP19A1CYP11B2FNTA
SCHEMBL21929028 0.89 KIF11 (0.47) KIF11KDM1ACYP19A1CYP11B2
SCHEMBL21931742 0.89 KIF11 (0.42) KIF11KDM1ACYP19A1CYP11B2FNTA
SCHEMBL21929012 0.88 IDO1 (0.39) KIF11KDM1ACYP11B2SLC22A12
SCHEMBL21928459 0.87 AR (0.38) KDM1ACYP11B2ARCSNK1DSLC22A12
SCHEMBL21928631 0.85 PGR (0.40) KIF11KDM1ACYP11B2ARSLC22A12
SCHEMBL24737209 0.85 AR (0.40) KDM1ACYP19A1CYP11B2ARCHEK1
SCHEMBL21928461 0.84 KIF11 (0.42) KIF11KDM1ACYP19A1CYP11B2
SCHEMBL23348414 0.83 KIF11 (0.46) KIF11KDM1ACYP19A1CSNK1DCSNK1G2

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-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 (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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 KIF11 4417/4885KDM1A 2543/4885CYP19A1 1182/4885

“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.