SCHEMBL10301895

SCHEMBL10301895

CCCCCc1ccc(/C=C/C2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.36
TOP2A P11388 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR2 P34972 5/20 0.30
CNR1 P21554 3/20 0.30
SCN9A Q15858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10301894 0.93 TUBB1 (0.38) TUBB1MEN1KMT2A
SCHEMBL10301892 0.92 TUBB1 (0.36) TUBB1TOP2ACNR2CNR1
SCHEMBL15495057 0.89 TUBB1 (0.40) TUBB1TOP2AALDH1A1SMN1; SMN2TDP1
SCHEMBL10301893 0.89 TUBB1 (0.39) TUBB1TOP2AMEN1KMT2A
SCHEMBL12889220 0.88
SCHEMBL10301899 0.87 TUBB1 (0.38) TUBB1TOP2AMEN1KMT2A
SCHEMBL12739036 0.86 HDAC3 (0.31) CNR2
SCHEMBL10301888 0.85 MAOA (0.30)
SCHEMBL14766307 0.85 TUBB1 (0.38) TUBB1TOP2AALDH1A1SMN1; SMN2TDP1
SCHEMBL12739042 0.85 TUBB1 (0.38) TUBB1TOP2A

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 TUBB1 548/4885TOP2A 3093/4885ACE2 3757/4885

“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.