SCHEMBL6720158

SCHEMBL6720158

CCCCC[Si](C)(C)C1CCC(OC(=O)C2CCC(C(=O)O)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.35
PPM1B O75688 2/20 0.35
PTPN1 P18031 2/20 0.35
PPP1CC P36873 2/20 0.35
S1PR5 Q9H228 10/20 0.34
S1PR1 P21453 9/20 0.31
S1PR3 Q99500 7/20 0.30
S1PR4 O95977 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
SCHEMBL2614278 0.95 NAAA (0.39) NAAAPPM1BPTPN1PPP1CC
SCHEMBL2614277 0.95 NAAA (0.39) NAAAPPM1BPTPN1PPP1CC
SCHEMBL6720152 0.90 NAAA (0.35) NAAA
SCHEMBL12109962 0.88 NAAA (0.35) NAAA
SCHEMBL2614279 0.87 S1PR5 (0.37) NAAAS1PR5S1PR1S1PR3S1PR4
SCHEMBL12109958 0.85 NAAA (0.33) NAAA
SCHEMBL13340632 0.76 NAAA (0.46) NAAAPPM1BPTPN1
SCHEMBL16203165 0.76 NAAA (0.46) NAAAPPM1BPTPN1
SCHEMBL12799473 0.74 PLG (0.41) PPM1BPTPN1PPP1CC
SCHEMBL12699216 0.74 NAAA (0.35) NAAA

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 4 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-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-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 (2 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 NAAA 3866/4885PPM1B 2660/4885PTPN1 1230/4885
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 NAAA 3646/4885PPM1B 1000/4885PTPN1 448/4885

“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.