SCHEMBL10301904

SCHEMBL10301904

CCCCCCCCOc1ccc(C2CCC(/C=C/c3ccc(C)c(F)c3)CO2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
TUBB1 Q9H4B7 2/20 0.31
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL10301905 1.00 THRA (0.32) THRATHRBTUBB1ALDH1A1SMN1; SMN2
SCHEMBL10301903 0.86 THRA (0.33) THRATHRBTUBB1ALDH1A1MAPT
SCHEMBL10301875 0.84 THRB (0.33) THRATHRBALDH1A1MAPT
SCHEMBL10301901 0.82 SCN9A (0.35) TUBB1ALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL10301908 0.79 TUBB1 (0.32) TUBB1TDP1MAPT
SCHEMBL10302443 0.79 PPARD (0.35) THRATHRBALDH1A1TDP1
SCHEMBL10302441 0.79 PPARD (0.35) THRATHRBALDH1A1TDP1
SCHEMBL10301900 0.78 TUBB1 (0.40) TUBB1
SCHEMBL10302173 0.78 SLC6A2 (0.34) THRATHRBSMN1; SMN2MAPTMAPK1
SCHEMBL10302174 0.78 SLC6A2 (0.34) THRATHRBSMN1; SMN2MAPTMAPK1

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 THRA 2022/4885THRB 3016/4885TUBB1 548/4885

“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.