SCHEMBL2614280

SCHEMBL2614280

CCCC[Si](C)(C)C1CCC(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MERTK Q12866 1/20 0.31
SPHK2 Q9NRA0 3/20 0.30
SPHK1 Q9NYA1 3/20 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
SCHEMBL2614284 0.94 EPHX1 (0.35) SHBGCNR1CNR2EPHX1ALDH1A1
SCHEMBL846790 0.80 CYP1A2 (0.39) CNR1CNR2EPHX1MEN1KMT2A
SCHEMBL17565668 0.78 CYP1A2 (0.43) CNR1CNR2EPHX1
SCHEMBL6720152 0.76 NAAA (0.35)
SCHEMBL18056829 0.72
SCHEMBL2614279 0.72 S1PR5 (0.37)
SCHEMBL8956011 0.69 CYP1A2 (0.36) CNR1CNR2MEN1KMT2A
SCHEMBL15791376 0.67
SCHEMBL15628148 0.67
SCHEMBL12471733 0.66 TSHR (0.37) SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8182716-B2 Liquid crystal compound, liquid crystal composition comprising the same, and optical film using the same liquid crystal composition LG CHEM, LTD. (KR) 2012-05-22 US disclosed
US-8158023-B2 Biaxial liquid crystal compound, liquid crystal composition comprising the same, and optical film using the same liquid crystal composition LG CHEM, LTD. (KR) 2012-04-17 US disclosed
US-8052891-B2 Fluorene derivative, liquid crystal composition comprising the same, and optical film using the same liquid crystal composition LG CHEM, LTD. (KR) 2011-11-08 US disclosed
US-20100078594-A1 BIAXIAL LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION LG CHEM, LTD. (KR) 2010-04-01 US disclosed
US-20100059712-A1 FLUORENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION LG CHEM, LTD. (KR) 2010-03-11 US disclosed
US-20100051867-A1 NOVEL LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION LG CHEM, LTD. (KR) 2010-03-04 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 (3 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-20100059712-A1 FLUORENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION FLNA, FMNL1, CFAP20 SHBG 1589/4885CNR1 4302/4885CNR2 4339/4885
US-20100051867-A1 NOVEL LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION CRYAA, UACA, AUP1 SHBG 1171/4885CNR1 4056/4885CNR2 4194/4885
US-20100078594-A1 BIAXIAL LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION CRYAA, UACA, CNOT9 SHBG 1523/4885CNR1 4032/4885CNR2 3938/4885

“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.