SCHEMBL21116558

SCHEMBL21116558

Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C(F)(F)F)c(-n3c4ccc(C)cc4c4cc(C)ccc43)c2)ccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
RORC P51449 2/20 0.36
KIF11 P52732 1/20 0.35
AR P10275 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD11B1 P28845 1/20 0.35
PTGES O14684 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORB Q92753 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL21116517 1.00 BCHE (0.36) BCHEACHERORCKIF11AR
SCHEMBL21116516 0.92 KIF11 (0.38) BCHEACHERORCKIF11AR
SCHEMBL21116495 0.91 AR (0.44) RORCKIF11ARL3MBTL1ALDH1A1
SCHEMBL21116560 0.89 TRPA1 (0.36) RORCKIF11ARL3MBTL1ALDH1A1
SCHEMBL21116492 0.86 L3MBTL1 (0.40) RORCKIF11ARL3MBTL1ALDH1A1
SCHEMBL21116344 0.86 TSPO (0.40) RORCKIF11L3MBTL1ALDH1A1PTGES
SCHEMBL21116489 0.86 L3MBTL1 (0.40) RORCKIF11ARL3MBTL1ALDH1A1
SCHEMBL10090565 0.86 ALDH1A1 (0.32) BCHEACHERORCL3MBTL1ALDH1A1
SCHEMBL24789493 0.86 BCHE (0.40) BCHEACHERORCKIF11L3MBTL1
SCHEMBL21116268 0.85 KIF11 (0.40) RORCKIF11L3MBTL1HSD11B1PTGES

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 BCHE 2942/4885ACHE 3923/4885RORC 471/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 BCHE 2954/4885ACHE 3959/4885RORC 501/4885

“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.