SCHEMBL871434

SCHEMBL871434

CCCCCC1CCC([C@H]2CC[C@H](c3cccc(F)c3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
DRD2 P14416 6/20 0.38
DRD4 P21917 7/20 0.37
HTR1A P08908 6/20 0.37
DRD1 P21728 6/20 0.37
DRD5 P21918 6/20 0.37
DRD3 P35462 6/20 0.37
CHRM4 P08173 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL8753812 1.00 GRM2 (0.41) GRM2KDM1ARCOR1DRD2DRD4
SCHEMBL11163414 0.99 GRM2 (0.43) GRM2KDM1ARCOR1DRD2DRD4
SCHEMBL11163411 0.99 GRM2 (0.43) GRM2KDM1ARCOR1DRD2DRD4
SCHEMBL11156621 0.96 KDM1A (0.39) GRM2KDM1ARCOR1DRD2DRD4
SCHEMBL11156616 0.96 KDM1A (0.39) GRM2KDM1ARCOR1DRD2DRD4
SCHEMBL729421 0.96 GRM2 (0.43) GRM2KDM1ARCOR1DRD2DRD4
SCHEMBL872117 0.96 GRM2 (0.43) GRM2KDM1ARCOR1DRD2DRD4
SCHEMBL2853509 0.94 GRM2 (0.45) GRM2KDM1ARCOR1DRD2DRD4
SCHEMBL27871568 0.92 KDM1A (0.41) GRM2KDM1ARCOR1DRD2DRD4
SCHEMBL8754430 0.90 CYP2C9 (0.43) GRM2KDM1ARCOR1DRD2DRD4

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-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 GRM2 2539/4885KDM1A 821/4885RCOR1 2278/4885

“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.