SCHEMBL21116848

SCHEMBL21116848

N#Cc1ccc(-c2ccc(C#N)c(-n3c4ccc(-c5ccccc5C(F)(F)F)cc4c4cc(-c5ccccc5C(F)(F)F)ccc43)c2)cc1-n1c2ccc(-c3ccccc3C(F)(F)F)cc2c2cc(-c3ccccc3C(F)(F)F)ccc21

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.61
PGR P06401 4/20 0.48
TRPA1 O75762 2/20 0.43
NR3C1 P04150 1/20 0.39

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
SCHEMBL21116850 0.96 AR (0.57) ARPGRTRPA1NR3C1
SCHEMBL21116250 0.90 AR (0.61) ARPGRTRPA1
SCHEMBL26540108 0.88 AR (0.52) ARPGRTRPA1NR3C1
SCHEMBL21131567 0.87 AR (0.60) ARPGRTRPA1NR3C1
SCHEMBL21116256 0.86 AR (0.43) ARPGR
SCHEMBL21116265 0.86 AR (0.44) ARPGR
SCHEMBL21116477 0.85 AR (0.48) ARPGRNR3C1
SCHEMBL21116537 0.84 TRPA1 (0.48) ARPGRTRPA1NR3C1
SCHEMBL21116511 0.84 ESR2 (0.44) ARPGRTRPA1NR3C1
SCHEMBL21131568 0.84 AR (0.56) ARPGRTRPA1NR3C1

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 1096/4885PGR 2665/4885TRPA1 2216/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 AR 1080/4885PGR 2701/4885TRPA1 2134/4885

“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.