SCHEMBL17147808

SCHEMBL17147808

Fc1cc(F)cc(C2CCC(C3CCC3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.35
GRIA4 P48058 1/20 0.35
HCRTR2 O43614 4/20 0.35
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL16978456 0.96 NPY5R (0.35) NPY5RGRIA4HCRTR2SLC6A2SLC6A4
SCHEMBL18284064 0.86 GRIA4 (0.39) NPY5RGRIA4HCRTR2
SCHEMBL3157843 0.86 NPY5R (0.39) NPY5RGRIA4HCRTR2
SCHEMBL16546460 0.83
SCHEMBL15172779 0.83 ESR2 (0.42) NPY5RGRIA4HCRTR2SLC6A2SLC6A4
SCHEMBL17147811 0.81 NPC1 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL18100603 0.80 ESR2 (0.39) NPY5RHCRTR2CYP19A1
SCHEMBL127018 0.79 CYP11B2 (0.38) NPY5RGRIA4HCRTR2
SCHEMBL8767030 0.77 ALDH1A1 (0.33)
SCHEMBL14295821 0.77 CYP11B2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481828-B2 Liquid Crystal compound containing cyclobutyl group and difluoromethyleneoxy linking group, and preparation method and use thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2016-11-01 US disclosed
US-9481828-B2 Liquid Crystal compound containing cyclobutyl group and difluoromethyleneoxy linking group, and preparation method and use thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2016-11-01 US disclosed
US-20150284632-A1 Liquid Crystal Compound Containing Cyclobutyl Group and Difluoromethyleneoxy Linking Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-10-08 US disclosed
US-20150284632-A1 Liquid Crystal Compound Containing Cyclobutyl Group and Difluoromethyleneoxy Linking Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-10-08 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-20150284632-A1 Liquid Crystal Compound Containing Cyclobutyl Group and Difluoromethyleneoxy Linking Group, and Preparation Method and Use Thereof CFB, CFL1, FASTKD1 NPY5R 1307/4885GRIA4 1833/4885HCRTR2 997/4885

“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.