SCHEMBL10301872

SCHEMBL10301872

CCCCCOc1ccc(C2CCC(/C=C/c3ccc(C)cc3F)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SCN9A Q15858 1/20 0.32
THRA P10827 1/20 0.31
PPARD Q03181 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL10301874 0.99 THRB (0.35) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL10301876 0.99 THRB (0.35) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL10301873 0.97 SCN9A (0.35) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL10301867 0.91 SLC6A2 (0.35) ALDH1A1MAPTHTR1ASLC6A2SLC6A4
SCHEMBL10301880 0.89 HTR1A (0.34) HTR1ASLC6A2SLC6A4
SCHEMBL10301879 0.87 HTR1A (0.34) HTR1ASLC6A2SLC6A4
SCHEMBL10301788 0.86
SCHEMBL10301875 0.85 THRB (0.33) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL10301595 0.85 MAPT (0.40) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL10301790 0.85 THRA (0.30) THRBTHRA

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 THRB 3016/4885ALDH1A1 1806/4885GAA 4618/4885

“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.