SCHEMBL10075606

SCHEMBL10075606

N#CC(C#N)=C1c2cc(-c3ccccc3C(F)(F)F)ccc2-c2ccc(-c3ccccc3C(F)(F)F)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.56
PGR P06401 2/20 0.46
TRPA1 O75762 3/20 0.42
BACE1 P56817 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
SCN9A Q15858 3/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
CTSK P43235 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL10075607 0.84 EDNRB (0.42) ARPGRALOX5APFEN1ALDH1A1
SCHEMBL10050384 0.82 AR (0.50) ARPGRTRPA1BACE1TRPM8
SCHEMBL14233920 0.81 AR (0.40) ARPGRALDH1A1GAAMAPT
SCHEMBL10075614 0.80 PTPRC (0.54) PGRTRPA1BACE1ALOX5APFEN1
SCHEMBL10075599 0.79 KIF11 (0.55) ALDH1A1GAAMAPTPKM
SCHEMBL10075601 0.79 CTSS (0.41) ARPGRALDH1A1GAAMAPT
SCHEMBL15095643 0.79 KIF11 (0.41) ARPGRALDH1A1GAAMAPT
SCHEMBL20930809 0.79 AR (0.43) ARPGRSCN9APDK2
SCHEMBL21917123 0.78 AR (0.60) ARPGR
SCHEMBL14233921 0.78 PDK2 (0.37) ARPGRALDH1A1GAAMAPT

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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 (1 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 AR 4115/4885PGR 1938/4885TRPA1 291/4885

“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.