SCHEMBL11028664

SCHEMBL11028664

CCCCCC1(c2ccc(OCC)c(F)c2F)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.37
SLC6A3 Q01959 9/20 0.37
CNR2 P34972 5/20 0.37
CNR1 P21554 3/20 0.37
S1PR5 Q9H228 2/20 0.34
S1PR1 P21453 1/20 0.34
SLC6A2 P23975 4/20 0.33
CETP P11597 3/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6753578 0.91 SLC6A3 (0.36) SLC6A4SLC6A3SLC6A2L3MBTL1
SCHEMBL29214529 0.90 SLC6A3 (0.37) SLC6A4SLC6A3SLC6A2L3MBTL1
SCHEMBL6751683 0.90 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2L3MBTL1
SCHEMBL6749694 0.85 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL8963206 0.82 CNR1 (0.37) SLC6A4SLC6A3CNR2CNR1S1PR5
SCHEMBL28984526 0.79 ALDH1A1 (0.39) SLC6A4SLC6A3CNR2CNR1SLC6A2
SCHEMBL3665645 0.78 APOBEC3G (0.36)
SCHEMBL6752426 0.78
SCHEMBL9333940 0.76 CNR1 (0.38) SLC6A4SLC6A3CNR2CNR1SLC6A2
SCHEMBL10429831 0.76 SLC6A4 (0.34) SLC6A4SLC6A3CNR2CNR1SLC6A2

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
EP-2484658-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2017-12-06 EP disclosed
US-9109157-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition and liquid crystal display device using the same JNC CORPORATION (JP) 2015-08-18 US disclosed
EP-2484658-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-08-08 EP disclosed
US-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME JNC PETROCHEMICAL CORPORATION (JP) 2012-07-26 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-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME H1-0, EFHD2, CCND2 SLC6A4 2580/4885SLC6A3 2635/4885CNR2 680/4885

“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.