SCHEMBL12735697

SCHEMBL12735697

O=S(=O)(CCCCCCO)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.68
MGLL Q99685 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LOX P28300 1/20 0.44
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL11309979 0.90 CA2 (0.81) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2593583 0.84 CA2 (0.67) CA2MGLLALDH1A1CYP3A4CYP2C9
SCHEMBL24176091 0.83 THRB (0.56) CA2MGLLALDH1A1CYP3A4CYP2C9
SCHEMBL5799550 0.83 ALDH1A1 (0.71) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4619704 0.83 THRB (0.56) CA2MGLLALDH1A1CYP3A4CYP2C9
SCHEMBL15899119 0.83 ALDH1A1 (0.71) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7782061 0.83 THRB (0.56) CA2MGLLALDH1A1CYP3A4CYP2C9
SCHEMBL9810735 0.83 CA2 (0.71) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7358238 0.83 CA2 (0.71) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7298810 0.82 CA2 (0.65) CA2ALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7931946-B2 Liquid crystal compound containing sulfone group, liquid crystal composition comprising the same, and optical film using the same liquid crystal composition LG CHEM, LTD. (KR) 2011-04-26 US disclosed
US-7931946-B2 Liquid crystal compound containing sulfone group, liquid crystal composition comprising the same, and optical film using the same liquid crystal composition LG CHEM, LTD. (KR) 2011-04-26 US disclosed
US-20100096590-A1 NOVEL LIQUID CRYSTAL COMPOUND CONTAINING SULFONE GROUP, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION LG CHEM, LTD. (KR) 2010-04-22 US disclosed
US-20100096590-A1 NOVEL LIQUID CRYSTAL COMPOUND CONTAINING SULFONE GROUP, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION LG CHEM, LTD. (KR) 2010-04-22 US disclosed
WO-2008091090-A1 NOVEL LIQUID CRYSTAL COMPOUND CONTAINING SULFONE GROUP, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION LG CHEM, LTD. (KR) 2008-07-31 WO 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-20100096590-A1 NOVEL LIQUID CRYSTAL COMPOUND CONTAINING SULFONE GROUP, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION SFXN1, SOST, SFXN3 CA2 1498/4885MGLL 410/4885ALDH1A1 4531/4885

“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.