SCHEMBL13025837

SCHEMBL13025837

CCCc1ccc(OC(F)(F)CCc2ccc(-c3ccc(OCC)cc3)c(F)c2C(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.34
FFAR4 Q5NUL3 4/20 0.34
MAPT P10636 2/20 0.31
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
CACNA2D1 P54289 1/20 0.31
S1PR1 P21453 3/20 0.30
S1PR3 Q99500 2/20 0.30
ALDH1A1 P00352 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
SCHEMBL13025755 0.87 HCRTR1 (0.33)
SCHEMBL12834385 0.85 HCRTR1 (0.34)
SCHEMBL13067296 0.85 FFAR4 (0.30) FFAR4
SCHEMBL13025929 0.83 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL13025769 0.83 HCRTR1 (0.33) FFAR4S1PR1S1PR3
SCHEMBL13025853 0.83 FFAR1 (0.34) FFAR1FFAR4MAPT
SCHEMBL13025777 0.83 FFAR1 (0.39) FFAR1FFAR4MAPTTHRBRAB9A
SCHEMBL14362959 0.80 GABRA1 (0.36) FFAR1FFAR4S1PR1S1PR3ALDH1A1
SCHEMBL13025918 0.79 ACACB (0.31)
SCHEMBL13025979 0.79 MAPT (0.34) FFAR1FFAR4MAPTTHRBRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 FFAR1 2982/4885FFAR4 3309/4885MAPT 1989/4885

“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.