SCHEMBL7199394

SCHEMBL7199394

N#Cc1ccc(C2CCC(CC=CC(F)F)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
USP30 Q70CQ3 4/20 0.34
HSD11B1 P28845 1/20 0.34
ESR2 Q92731 2/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SIGMAR1 Q99720 3/20 0.33
HRH3 Q9Y5N1 2/20 0.32
EGLN2 Q96KS0 1/20 0.32
KCNH2 Q12809 1/20 0.32
PANK3 Q9H999 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL8448943 1.00 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL9501669 1.00 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL9501663 1.00 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL8448831 0.96 GRIA1 (0.38) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL8453340 0.86 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL8453344 0.86 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL8453332 0.86 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL8453328 0.86 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL9477031 0.84 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL9477022 0.84 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30HSD11B1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599590-B2 Unsaturated fluorine compound CHISSO CORPORATION (JP) 2003-07-29 US disclosed
US-20020015805-A1 Fluoro-substituted alkenyl compounds, liquid crystal compositions, and liquid crystal display elements CHISSO PETROCHEMICAL CORPORATION (JP) 2002-02-07 US disclosed
EP-1158037-A1 Fluoro-substitued alkenyl compounds, liquid crystal compositions, and liquid crystal display elements CHISSO CORPORATION (JP) 2001-11-28 EP disclosed
EP-0330216-B1 A LIQUID CRYSTAL COMPOUND Chisso Corporation (JP) 1993-05-12 EP disclosed
US-4880562-A Liquid crystal compound CHISSO CORPORATION (JP) 1989-11-14 US disclosed
EP-0330216-A2 A liquid crystal compound Chisso Corporation (JP) 1989-08-30 EP 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-20020015805-A1 Fluoro-substituted alkenyl compounds, liquid crystal compositions, and liquid crystal display elements YBX1, LEF1, YBX3 GRIA1 2174/4885GRIA2 2282/4885GRIA3 2888/4885

“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.