SCHEMBL21898735

SCHEMBL21898735

N#Cc1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)cc1-c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
KIF11 P52732 1/20 0.37
RORC P51449 1/20 0.36
AR P10275 12/20 0.36
CNR2 P34972 1/20 0.35
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SCN9A Q15858 1/20 0.32
PTGES O14684 1/20 0.32
PGR P06401 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
SCHEMBL20611915 0.96 TRPA1 (0.36) TRPA1KIF11RORCARCNR2
SCHEMBL21898737 0.96 AR (0.37) TRPA1ARCNR2TSHRSMN1; SMN2
SCHEMBL20623729 0.94 AR (0.38) TRPA1KIF11RORCARPTGES
SCHEMBL20623789 0.94 KIF11 (0.37) TRPA1KIF11RORCARCNR2
SCHEMBL21898487 0.94 KIF11 (0.42) TRPA1KIF11ARCNR2TSHR
SCHEMBL21898728 0.91 AR (0.41) TRPA1KIF11RORCARCNR2
SCHEMBL20611919 0.91 AR (0.36) TRPA1RORCARCNR2TSHR
SCHEMBL21898836 0.90 AR (0.36) TRPA1RORCARCNR2TSHR
SCHEMBL21899788 0.89 AR (0.39) TRPA1RORCARSCN9A
SCHEMBL21898484 0.89 ACP1 (0.37) TRPA1RORCARPGR

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-11661412-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-30 US disclosed
US-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-23 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-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, AOC3, MT-CO3 TRPA1 899/4885KIF11 3795/4885RORC 2887/4885
US-11661412-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, AOX1 TRPA1 38/4885KIF11 3254/4885RORC 1876/4885

“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.