SCHEMBL21364320

SCHEMBL21364320

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(C#N)cc2)cc1-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
ABCG2 Q9UNQ0 16/20 0.38
ABCB1 P08183 10/20 0.38
ABCC1 P33527 4/20 0.36
KDM1A O60341 1/20 0.34
TP53 P04637 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL22137244 0.98 KIF11 (0.42) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL21364350 0.97 KIF11 (0.38) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL27015813 0.96 KIF11 (0.40) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL22137221 0.95 KIF11 (0.40) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL23965912 0.95 KIF11 (0.43) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL21364358 0.94 ABCG2 (0.40) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL27015801 0.93 KIF11 (0.38) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL27015951 0.93 KIF11 (0.38) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL21364465 0.93 CYP1A2 (0.41) ABCG2TP53
SCHEMBL23965911 0.92 KIF11 (0.40) KIF11ABCG2ABCB1ABCC1KDM1A

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-11161836-B2 Organic molecules for optoelectronic devices CYNORA GMBH (DE) 2021-11-02 US disclosed
US-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 KIF11 2121/4885ABCG2 3275/4885ABCB1 1278/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 KIF11 2121/4885ABCG2 3275/4885ABCB1 1278/4885

“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.