SCHEMBL21116490

SCHEMBL21116490

Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6ccccc6c6ccc(-c7ccccc7C)cc65)c4)ccc3C(F)(F)F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
PDK2 Q15119 1/20 0.37
KIF11 P52732 1/20 0.35
TRPA1 O75762 4/20 0.35
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
HSD11B1 P28845 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.32

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
SCHEMBL21116260 0.96 AR (0.48) ARPDK2TRPA1SCN9ASCN5A
SCHEMBL21116261 0.93 AR (0.45) ARPDK2KIF11TRPA1SCN9A
SCHEMBL23799193 0.91 AR (0.38) ARPDK2KIF11TRPA1SCN9A
SCHEMBL23798211 0.90 HSD11B1 (0.35) ARPDK2KIF11TRPA1SCN9A
SCHEMBL21116266 0.89 AR (0.48) ARPDK2TRPA1HSD11B1NR3C1
SCHEMBL21116341 0.89 SCN9A (0.43) ARTRPA1SCN9ASCN5AHSD11B1
SCHEMBL21131816 0.87 AR (0.44) ARPDK2KIF11TRPA1SCN9A
SCHEMBL21116516 0.85 KIF11 (0.38) ARKIF11HSD11B1CYP11B1CYP11B2
SCHEMBL21116342 0.84 SCN9A (0.46) ARTRPA1SCN9ASCN5AHSD11B1
SCHEMBL21116557 0.84 L3MBTL1 (0.40) KIF11CYP11B2RORCALDH1A1L3MBTL1

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 3 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
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP 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 1096/4885PDK2 3875/4885KIF11 3544/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 AR 1080/4885PDK2 3880/4885KIF11 3520/4885

“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.