SCHEMBL8955599

SCHEMBL8955599

C/C=C/C1OCC(c2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.34
FPR2 P25090 5/20 0.34
NAAA Q02083 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 3/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.31
MAP4K1 Q92918 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
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
SCHEMBL8957700 0.90 FPR2 (0.37) FPR2
SCHEMBL8955724 0.90 FPR2 (0.35) FPR2NAAA
SCHEMBL8955335 0.88 TDP2 (0.35) TDP2FPR2NAAAMEN1ALDH1A1
SCHEMBL12999653 0.88 FPR2 (0.30) FPR2
SCHEMBL8955919 0.87 FPR2 (0.36) FPR2HTR2C
SCHEMBL8946096 0.87 FPR2 (0.33) TDP2FPR2NAAAMEN1ALDH1A1
SCHEMBL8955920 0.86 HTR2C (0.33) HTR2C
SCHEMBL8955914 0.86 FPR2 (0.32) FPR2
SCHEMBL9019427 0.86
SCHEMBL8955503 0.86

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 TDP2 3352/4885FPR2 1427/4885NAAA 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.