SCHEMBL21364342

SCHEMBL21364342

Cc1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-c2ccc(C#N)cc2)ccc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 13/20 0.37
KIF11 P52732 1/20 0.37
PTGER4 P35408 1/20 0.37
ABCB1 P08183 7/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ABCC1 P33527 3/20 0.33
KDM1A O60341 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
SCHEMBL23965911 0.95 KIF11 (0.40) ABCG2KIF11PTGER4ABCB1RORC
SCHEMBL21364318 0.94 KIF11 (0.40) ABCG2KIF11PTGER4ABCB1RORC
SCHEMBL21364325 0.94 ABCG2 (0.39) ABCG2PTGER4ABCB1ALDH1A1MEN1
SCHEMBL22137221 0.93 KIF11 (0.40) ABCG2KIF11PTGER4ABCB1RORC
SCHEMBL23965912 0.93 KIF11 (0.43) ABCG2KIF11ABCB1ALDH1A1MEN1
SCHEMBL21364983 0.92 KIF11 (0.38) ABCG2KIF11PTGER4ABCB1RORC
SCHEMBL21364350 0.91 KIF11 (0.38) ABCG2KIF11PTGER4ABCB1RORC
SCHEMBL27015801 0.91 KIF11 (0.38) ABCG2KIF11PTGER4ABCB1RORC
SCHEMBL21364601 0.91 PTGER4 (0.38) ABCG2KIF11PTGER4RORCMEN1
SCHEMBL21364340 0.91 ABCG2 (0.41) ABCG2ABCB1ALDH1A1MEN1LMNA

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-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 (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-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 ABCG2 3275/4885KIF11 2121/4885PTGER4 1462/4885

“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.