SCHEMBL12759113

SCHEMBL12759113

CCCCCC1CCC(C2CCC(COc3ccc(OC)c(F)c3F)CC2)CO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.36
SLC6A4 P31645 8/20 0.36
SLC6A3 Q01959 8/20 0.36
PDE4B Q07343 5/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FPR2 P25090 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
SGPL1 O95470 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL12759114 0.97 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3PDE4BFPR2
SCHEMBL1011591 0.94 EPHX1 (0.35) SLC6A2SLC6A4SLC6A3EPHX1ALDH1A1
SCHEMBL12759112 0.93 PDE4B (0.35) SLC6A2SLC6A4SLC6A3PDE4BFPR2
SCHEMBL12759132 0.93 EPHX1 (0.34) SLC6A2SLC6A4SLC6A3EPHX1ALDH1A1
SCHEMBL12759218 0.92 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL12759125 0.92 EPHX1 (0.33) EPHX1ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL12759119 0.90 HTR2A (0.33) SLC6A2SLC6A4SLC6A3EPHX1HTR2A
SCHEMBL12759131 0.89 SMN1; SMN2 (0.34) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL12759124 0.88 HTR2C (0.32) HTR2AHTR2CHTR2B
SCHEMBL12759215 0.88 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3ALDH1A1

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
EP-2272837-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-12-17 EP disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
EP-2272837-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2011-01-12 EP disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 US disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 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-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD2, OCIAD1, CCDC22 SLC6A2 3392/4885SLC6A4 3800/4885SLC6A3 3264/4885

“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.