SCHEMBL11939261

SCHEMBL11939261

CCCC(O)c1ccc(C2CCC(OC(=O)c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 2/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 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
SCHEMBL11939858 1.00 MAPT (0.32) MAPTSMN1; SMN2ACACBPTGS1PTGS2
SCHEMBL12224035 0.97 MAPT (0.31) MAPTSMN1; SMN2
SCHEMBL12223343 0.96 MAPT (0.34) MAPTSMN1; SMN2ACACB
SCHEMBL10091402 0.94 MAPT (0.33) MAPTSMN1; SMN2ACACB
SCHEMBL11939018 0.93 MAPT (0.33) MAPTSMN1; SMN2ACACBPTGS1PTGS2
SCHEMBL11939209 0.93 MAPT (0.33) MAPTSMN1; SMN2ACACBPTGS1PTGS2
SCHEMBL11939860 0.91 TYR (0.30)
SCHEMBL11939936 0.91 TYR (0.30)
SCHEMBL12836799 0.90 FFAR4 (0.34) PTGS1PTGS2
SCHEMBL11938880 0.90 NAAA (0.35) PTGS1PTGS2

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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 US disclosed
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 MAPT 1566/4885SMN1; SMN2 4683/4885ACACB 2039/4885

“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.