SCHEMBL8932793

SCHEMBL8932793

CCCCCC1CCC(COc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.35
RIPK1 Q13546 1/20 0.34
FFAR4 Q5NUL3 3/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
SSTR5 P35346 2/20 0.33
KCNH2 Q12809 2/20 0.33
BRD4 O60885 2/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL22277198 0.93 SSTR5 (0.37) GRM2FFAR4SSTR5KCNH2
SCHEMBL9406352 0.93 HTR2A (0.36) GRM2RIPK1FFAR4GRIN1GRIN2B
SCHEMBL9406204 0.93 HTR2A (0.36) GRM2RIPK1FFAR4GRIN1GRIN2B
SCHEMBL9406120 0.93 HTR2A (0.36) GRM2RIPK1FFAR4GRIN1GRIN2B
SCHEMBL9406115 0.93 HTR2A (0.36) GRM2RIPK1FFAR4GRIN1GRIN2B
SCHEMBL9406209 0.93 HTR2A (0.36) GRM2RIPK1FFAR4GRIN1GRIN2B
SCHEMBL9406347 0.93 HTR2A (0.36) GRM2RIPK1FFAR4GRIN1GRIN2B
SCHEMBL8932785 0.92 FFAR4 (0.38) GRM2FFAR4GRIN1GRIN2BBRD4
SCHEMBL12113866 0.92 FFAR4 (0.41) GRM2FFAR4BRD4FGFR1FGFR2
SCHEMBL9406194 0.91 RIPK1 (0.39) GRM2RIPK1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 GRM2 3313/4885RIPK1 1713/4885FFAR4 342/4885

“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.