SCHEMBL10302012

SCHEMBL10302012

C=CCOc1ccc(-c2ccc(CCc3ccc(C)cc3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.36
FFAR1 O14842 3/20 0.36
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 2/20 0.33
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
ALOX5 P09917 1/20 0.31
BACE1 P56817 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
SCHEMBL12735596 0.90 CTSS (0.37) FFAR4FFAR1LMNAALDH1A1HTR2C
SCHEMBL12740116 0.90 CTSS (0.37) FFAR4FFAR1LMNAALDH1A1HTR2C
SCHEMBL10302014 0.89 CNR2 (0.38) FFAR4FFAR1LMNAALDH1A1CNR2
SCHEMBL10302013 0.89 CNR2 (0.36) FFAR4FFAR1LMNAALDH1A1CYP2D6
SCHEMBL10302006 0.88 FFAR4 (0.39) FFAR4FFAR1ALDH1A1GABRA1GABRB2
SCHEMBL10302536 0.87 GRM5 (0.39) FFAR4FFAR1HTR2CHTR2BBACE1
SCHEMBL12740184 0.87 FFAR1 (0.41) FFAR4FFAR1LMNAALDH1A1MEN1
SCHEMBL12735665 0.85 FFAR4 (0.36) FFAR4FFAR1LMNAALDH1A1HTR2C
SCHEMBL10303038 0.85 LMNA (0.34) LMNAALDH1A1HTR2CHTR2BCYP2D6
SCHEMBL10302007 0.84 S1PR1 (0.39) FFAR4FFAR1ALDH1A1MEN1KMT2A

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 FFAR4 1669/4885FFAR1 681/4885LMNA 239/4885

“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.