SCHEMBL21090882

SCHEMBL21090882

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)n2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.35
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL20156106 1.00 ABCG2 (0.35) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL20150392 0.97 PTGER4 (0.38) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL22243134 0.96 CYP1A2 (0.37) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL22242954 0.94 CYP1A2 (0.36) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL22243027 0.93 PTGER4 (0.38) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL20114552 0.93 ABCG2 (0.36) ABCG2CYP11B1CYP11B2ALDH1A1MEN1
SCHEMBL22243048 0.93 ABCG2 (0.32) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL22243189 0.92 CYP1A2 (0.36) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL22243054 0.92 PTGER4 (0.37) ABCG2GABRA1GABRA5GABRA3GABRA2
SCHEMBL20150389 0.92 ALDH1A1 (0.35) ABCG2GABRA1GABRA5GABRA3GABRA2

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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-13 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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 ABCG2 1311/4885GABRA1 3212/4885GABRA5 3514/4885

“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.