SCHEMBL8940704

SCHEMBL8940704

CCCC1CCC(c2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
NAAA Q02083 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 2/20 0.34
FPR2 P25090 6/20 0.34
FASN P49327 1/20 0.33
HTR2C P28335 2/20 0.33
TDP2 O95551 1/20 0.33
CYP17A1 P05093 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
SCHEMBL18718260 0.96 FPR2 (0.37) GRIN1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL8941013 0.93 GRIN1 (0.35) GRIN1GRIN2BNAAASLC6A2SLC6A4
SCHEMBL8940928 0.93 GRIN1 (0.35) GRIN1GRIN2BNAAAFPR2FASN
SCHEMBL8941117 0.93 MGLL (0.36) GRIN1GRIN2BNAAASLC6A2SLC6A4
SCHEMBL8942043 0.91 FPR2 (0.35) GRIN1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL8940715 0.90 FPR2 (0.34) GRIN1GRIN2BFPR2FASNHTR2C
SCHEMBL18718284 0.90 FPR2 (0.36) GRIN1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL12999926 0.90 FASN (0.32) GRIN1GRIN2BFASN
SCHEMBL8940751 0.90 S1PR1 (0.34) GRIN1GRIN2BFPR2FASN
SCHEMBL18718300 0.89 FPR2 (0.35) GRIN1GRIN2BSLC6A2SLC6A4SLC6A3

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
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-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 2825/4885NAAA 4128/4885

“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.