SCHEMBL11939009

SCHEMBL11939009

Oc1ccc(OCC2CCC(c3ccc(-c4ccc(O)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.34
S1PR1 P21453 1/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
FFAR1 O14842 1/20 0.32
SLC6A9 P48067 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
BRD4 O60885 1/20 0.32
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
KDM1A O60341 2/20 0.32
QDPR P09417 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
SCHEMBL15381563 0.88 KDM1A (0.43) SGPL1S1PR1HTR2AHTR2CHTR2B
SCHEMBL10303153 0.84 KDM5A (0.35) SGPL1S1PR1HTR2AHTR2CHTR2B
SCHEMBL11933182 0.83 KDM1A (0.39) SGPL1S1PR1HTR2AHTR2CHTR2B
SCHEMBL11939060 0.83 FEN1 (0.39) HTR2AHTR2CHTR2BALOX5APFEN1
SCHEMBL11939790 0.83 FEN1 (0.39) HTR2AHTR2CHTR2BALOX5APFEN1
SCHEMBL15381636 0.82 KDM1A (0.39) SGPL1S1PR1HTR2AHTR2CHTR2B
SCHEMBL11939135 0.82 KDM1A (0.37) SGPL1S1PR1PDE4APDE4BPDE4C
SCHEMBL11933184 0.81 PDE4A (0.33) SGPL1S1PR1HTR2AHTR2CHTR2B
SCHEMBL12222867 0.80 FEN1 (0.37) HTR2AHTR2CHTR2BALOX5APFEN1
SCHEMBL11933185 0.80 PDE4B (0.34) SGPL1S1PR1FFAR4PDE4APDE4B

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 1 patent. 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

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 SGPL1 1739/4885S1PR1 746/4885HTR2A 1458/4885

“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.