SCHEMBL22011114

SCHEMBL22011114

CCCCOc1cc2oc3cc(C4CCCCC4)c(F)c(F)c3c2c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
CNR2 P34972 11/20 0.35
SCN9A Q15858 1/20 0.35
PGAM1 P18669 1/20 0.34
CNR1 P21554 4/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL22011101 0.96 CNR2 (0.36) HTR1DHTR1BCNR2SCN9APGAM1
SCHEMBL22011806 0.95 HTR1D (0.36) HTR1DHTR1BCNR2SCN9APGAM1
SCHEMBL22011195 0.94 SCN9A (0.39) HTR1DHTR1BCNR2SCN9APGAM1
SCHEMBL22011235 0.86 PGAM1 (0.34) SCN9APGAM1
SCHEMBL22011792 0.84 SCN9A (0.33) SCN9APGAM1
SCHEMBL22011805 0.82 SCN9A (0.32) SCN9APGAM1
SCHEMBL22010814 0.81 SSTR5 (0.33) KDM4EALDH1A1
SCHEMBL22011232 0.81 MAPT (0.32)
SCHEMBL22011788 0.80 PGAM1 (0.42) PGAM1KDM4EALDH1A1
SCHEMBL22011181 0.76 PGAM1 (0.42) PGAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-26 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-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device YBX1, ZKSCAN2, RCC1 HTR1D 43/4885HTR1B 317/4885CNR2 1838/4885

“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.