SCHEMBL8939579

SCHEMBL8939579

CCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
FASN P49327 1/20 0.36
FPR2 P25090 5/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
NAAA Q02083 1/20 0.32
FGFR2 P21802 2/20 0.30
FGFR1 P11362 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
SCHEMBL8939733 0.95 FPR2 (0.35) KDM1AFASNFPR2GRIN1GRIN2B
SCHEMBL13262839 0.94 FASN (0.34) KDM1AFASNFPR2GRIN1GRIN2B
SCHEMBL8939598 0.94 FASN (0.34) KDM1AFASNFPR2GRIN1GRIN2B
SCHEMBL8939605 0.93 FASN (0.34) KDM1AFASNFPR2
SCHEMBL8932645 0.93 KDM1A (0.35) KDM1AFASNFPR2GRIN1GRIN2B
SCHEMBL8939592 0.93 FASN (0.35) KDM1AFASNFPR2GRIN1GRIN2B
SCHEMBL18718214 0.93 KDM1A (0.39) KDM1AFASNFPR2GRIN1GRIN2B
SCHEMBL13198469 0.93 FASN (0.40) KDM1AFASNFPR2GRIN1GRIN2B
SCHEMBL8939607 0.93 FASN (0.33) KDM1AFASNFPR2
SCHEMBL8939716 0.93 FASN (0.33) KDM1AFASNFPR2

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 KDM1A 2117/4885FASN 2049/4885FPR2 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.