SCHEMBL21116518

SCHEMBL21116518

Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6cc(C)ccc6c6ccc(C)cc65)c4)ccc3C(F)(F)F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HSD11B1 P28845 1/20 0.33
KIF11 P52732 7/20 0.33
NOTUM Q6P988 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
ALDH1A1 P00352 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL21116516 0.93 KIF11 (0.38) ARCYP11B1CYP11B2HSD11B1KIF11
SCHEMBL21116498 0.88 AR (0.48) ARCYP11B2HSD11B1HSD17B1HSD17B2
SCHEMBL23798197 0.88 HSD11B1 (0.34) ARCYP11B1CYP11B2HSD11B1NOTUM
SCHEMBL21116558 0.84 BCHE (0.36) ARHSD11B1KIF11NR1H2NR1H3
SCHEMBL21116517 0.84 BCHE (0.36) ARHSD11B1KIF11NR1H2NR1H3
SCHEMBL21116497 0.84 AR (0.44) ARHSD11B1KIF11NR1H2NR1H3
SCHEMBL23798211 0.83 HSD11B1 (0.35) ARCYP11B1CYP11B2HSD11B1KIF11
SCHEMBL21116899 0.83 KIF11 (0.44) KIF11NOTUMHSD17B1HSD17B2ALDH1A1
SCHEMBL21116258 0.82 KIF11 (0.40) HSD11B1KIF11NOTUM
SCHEMBL23798850 0.81 KIF11 (0.39) KIF11

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-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 AR 1096/4885CYP11B1 1343/4885CYP11B2 1090/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 AR 1080/4885CYP11B1 1257/4885CYP11B2 1121/4885

“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.