SCHEMBL16428906

SCHEMBL16428906

CCCCCCCCOc1c(F)cc(-c2ccccc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.47
FFAR4 Q5NUL3 3/20 0.45
LTA4H P09960 1/20 0.44
PTPN1 P18031 1/20 0.42
PLA2G2A P14555 1/20 0.41
RARB P10826 5/20 0.41
TSHR P16473 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
PTPN11 Q06124 2/20 0.40

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
SCHEMBL18314263 0.86 RARB (0.40) FFAR4PTPN1RARBTSHRTHRA
SCHEMBL9399219 0.83 RARB (0.57) RARBTSHRRARARARG
SCHEMBL9399803 0.83 RARB (0.57) RARBTSHRRARARARG
SCHEMBL18314440 0.83 RARB (0.66) RARBTSHRRARAPTPN11
SCHEMBL18314304 0.82 FFAR4 (0.39) FFAR4RARBTHRATHRBRARA
SCHEMBL7789312 0.82 SOAT1 (0.49) SOAT1LTA4HPTPN1RARBTSHR
SCHEMBL7786753 0.81 PTPN11 (0.53) SOAT1PTPN1RARBTHRATHRB
SCHEMBL7788886 0.81 PTPN11 (0.53) SOAT1PTPN1RARBTHRATHRB
SCHEMBL15564752 0.79 TSHR (0.47) LTA4HPTPN1TSHR
SCHEMBL9399575 0.78 RARB (0.55) RARBTSHRRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441164-B2 Isosorbide derivative, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-13 US disclosed
US-20150034868-A1 ISOSORBIDE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-02-05 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-20150034868-A1 ISOSORBIDE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE AR, NR3C2, RCC2 SOAT1 4726/4885FFAR4 54/4885LTA4H 627/4885

“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.