SCHEMBL10302136

SCHEMBL10302136

CCCCCc1ccc(CCC2CCC(c3ccc(OCC)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
HTR2A P28223 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
SPHK1 Q9NYA1 3/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HTT P42858 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
APAF1 O14727 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL10302163 0.96 S1PR1 (0.36) S1PR1HTR2AACE2HTTMAPT
SCHEMBL10302135 0.93 GABRA1 (0.34) HTR2AL3MBTL1SMN1; SMN2
SCHEMBL10302133 0.92 S1PR1 (0.38) S1PR1HTR2ACNR2
SCHEMBL10302169 0.91 GABRA1 (0.34) FFAR4L3MBTL1SMN1; SMN2
SCHEMBL10302134 0.90 HTR2A (0.33) HTR2A
SCHEMBL12739752 0.90 S1PR1 (0.39) S1PR1HTR2ASPHK1
SCHEMBL10302161 0.88 LYPLA1 (0.37) S1PR1HTR2ACNR2
SCHEMBL10302140 0.88 HTT (0.36) HTR2AFFAR4HTTMAPK1MEN1
SCHEMBL10302168 0.88 FFAR4 (0.35) FFAR4MAPK1L3MBTL1SMN1; SMN2
SCHEMBL10302055 0.87 CNR2 (0.33) ACE2SPHK1CNR2

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 S1PR1 1915/4885HTR2A 1823/4885ACE2 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.