SCHEMBL10301903

SCHEMBL10301903

CCCCCCCOc1ccc(C2CCC(/C=C/c3ccc(C)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
TUBB1 Q9H4B7 3/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 1/20 0.32
APP P05067 3/20 0.31
ESR1 P03372 2/20 0.31
ACHE P22303 3/20 0.31
PDE4B Q07343 1/20 0.31
BCHE P06276 2/20 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
SCHEMBL10301901 0.96 SCN9A (0.35) TUBB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL10301900 0.90 TUBB1 (0.40) TUBB1
SCHEMBL12739060 0.87 THRA (0.37) THRATHRBTUBB1MAPTALDH1A1
SCHEMBL12739063 0.87 THRA (0.37) THRATHRBTUBB1MAPTALDH1A1
SCHEMBL12739062 0.87 THRA (0.37) THRATHRBTUBB1MAPTALDH1A1
SCHEMBL15495057 0.87 TUBB1 (0.40) THRATHRBTUBB1MAPTALDH1A1
SCHEMBL10301907 0.86 TUBB1 (0.33) TUBB1
SCHEMBL10301904 0.86 THRA (0.32) THRATHRBTUBB1MAPTALDH1A1
SCHEMBL10301905 0.86 THRA (0.32) THRATHRBTUBB1MAPTALDH1A1
SCHEMBL12739055 0.86 SMN1; SMN2 (0.36) THRATHRBTUBB1MAPTALDH1A1

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.