SCHEMBL21364339

SCHEMBL21364339

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(-c3ccc(C#N)cc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.37
ABCB1 P08183 6/20 0.35
ALDH1A3 P47895 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ABCC1 P33527 3/20 0.33
PTGER4 P35408 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
SCHEMBL21364341 0.97 PTGER4 (0.37) ABCG2ABCB1ALDH1A3MEN1ALDH1A1
SCHEMBL22243134 0.95 CYP1A2 (0.37) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL22243189 0.93 CYP1A2 (0.36) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL22243027 0.93 PTGER4 (0.38) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL23965889 0.92 ABCG2 (0.41) ABCG2ABCB1ALDH1A3MEN1ALDH1A1
SCHEMBL21364340 0.92 ABCG2 (0.41) ABCG2ABCB1ALDH1A3MEN1ALDH1A1
SCHEMBL22242954 0.91 CYP1A2 (0.36) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL21090882 0.91 ABCG2 (0.35) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL20156106 0.91 ABCG2 (0.35) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL21364839 0.91 ABCG2 (0.39) ABCG2ABCB1ALDH1A3MEN1ALDH1A1

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 ABCG2 3275/4885ABCB1 1278/4885ALDH1A3 42/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 ABCG2 3275/4885ABCB1 1278/4885ALDH1A3 42/4885

“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.