SCHEMBL8932646

SCHEMBL8932646

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
FPR2 P25090 2/20 0.32
NAAA Q02083 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
ESR1 P03372 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
SCHEMBL8941060 0.99 GRIN1 (0.33) GRIN1GRIN2BFPR2NAAAFGFR1
SCHEMBL8941033 0.96 S1PR1 (0.33) GRIN1GRIN2BFPR2
SCHEMBL8941011 0.96 PTPN11 (0.33) GRIN1GRIN2BFPR2
SCHEMBL18718287 0.96 FPR2 (0.34) GRIN1GRIN2BFPR2NAAAFGFR1
SCHEMBL8941333 0.95 PTPN11 (0.35) GRIN1GRIN2BFPR2
SCHEMBL8941126 0.95 PTPN11 (0.35) GRIN1GRIN2BFPR2
SCHEMBL8941129 0.95 PTPN11 (0.35) GRIN1GRIN2BFPR2
SCHEMBL8940982 0.95 PTPN11 (0.35) GRIN1GRIN2BFPR2
SCHEMBL8941257 0.95 PTPN11 (0.35) GRIN1GRIN2BFPR2
SCHEMBL8941390 0.95 PTPN11 (0.35) GRIN1GRIN2BFPR2

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 GRIN1 3087/4885GRIN2B 2825/4885FPR2 1427/4885

“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.