SCHEMBL2506935

SCHEMBL2506935

CCOc1ccc(-c2ccc(C3CCC(=O)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.36
FPR2 P25090 3/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE10A Q9Y233 5/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM1A O60341 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PTPRC P08575 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
FGFR1 P11362 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
SCHEMBL1243882 0.94 HCRTR2 (0.38) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL15381624 0.89 FPR2 (0.39) FPR2KDM1AALOX5APFEN1FGFR1
SCHEMBL11894647 0.86 HCRTR2 (0.36) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL11894645 0.86 HCRTR2 (0.36) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL19986372 0.85 PTGDR2 (0.40) FPR2ALDH1A1MAPTPTGDR2ALOX5AP
SCHEMBL14922522 0.85 FPR2 (0.37) FPR2KDM1AALOX5APFEN1FGFR1
SCHEMBL15381670 0.84 FPR2 (0.38) FPR2ALDH1A1MAPTKDM1AALOX5AP
SCHEMBL425191 0.84 SCN9A (0.40) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
Ethylene SCHEMBL5076561 0.84 HCRTR2 (0.33) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL19985457 0.83 FPR2 (0.36) FPR2ALDH1A1KDM1AALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479162-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
EP-2479162-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 US disclosed
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 US disclosed
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 US disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
EP-2479162-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-07-25 EP disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 US disclosed
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 WO 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 (3 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 HCRTR2 237/4885FPR2 1970/4885ALDH1A1 2333/4885
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 HCRTR2 297/4885FPR2 804/4885ALDH1A1 313/4885
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 HCRTR2 1861/4885FPR2 1279/4885ALDH1A1 4082/4885

“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.