SCHEMBL5079050

SCHEMBL5079050

CCOc1ccc(C2CCC(CCC=O)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.35
CNR1 P21554 2/20 0.35
HPGD P15428 1/20 0.33
OPRL1 P41146 2/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM1A O60341 2/20 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
SCHEMBL5079046 1.00 CNR2 (0.35) CNR2CNR1HPGDOPRL1HTR1A
SCHEMBL2545570 0.88 USP30 (0.37) CNR2CNR1OPRL1HTR1ASLC6A2
SCHEMBL2545568 0.88 USP30 (0.37) CNR2CNR1OPRL1HTR1ASLC6A2
SCHEMBL3911932 0.87 OPRL1 (0.32) CNR2CNR1HPGDOPRL1KDM1A
SCHEMBL3911928 0.87 OPRL1 (0.32) CNR2CNR1HPGDOPRL1KDM1A
SCHEMBL4320971 0.87 HPGD (0.33) CNR2CNR1HPGDHTR1ASLC6A2
SCHEMBL15803731 0.87 HPGD (0.35) CNR2CNR1HPGDOPRL1KDM1A
SCHEMBL11940767 0.86 OPRL1 (0.32) CNR2CNR1HPGDOPRL1KDM1A
SCHEMBL18134228 0.85 CYP2C9 (0.38) OPRL1KDM1A
SCHEMBL12733782 0.85 CYP2C9 (0.38) OPRL1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 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-1362839-B1 Liquid crystal composition having a positive delta-epsilon and liquid crystal display device CHISSO CORP (JP) 2008-08-13 EP disclosed
US-7081279-B2 Alkenyl compound having a negative Δε value, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2006-07-25 US disclosed
US-20040065866-A1 Alkenyl compound having a negative delta epsilon value, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2004-04-08 US disclosed
US-6692657-B1 ALKENYL COMPOUND WITH 2,3-DIFLUOROPHENYL GROUP CHISSO CORPORATION (JP) 2004-02-17 US disclosed
EP-1362839-A2 Liquid crystal composition having a delta-epsilon- of not less than zero and liquid crystal display device CHISSO CORPORATION (JP) 2003-11-19 EP disclosed
EP-0969071-B1 Alkenyl compound having a negative delta epsilon value, liquid crystal composition and liquid crystal display device CHISSO CORP (JP) 2003-11-05 EP disclosed
EP-0969071-A1 Alkenyl compound having a negative delta epsilon value, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2000-01-05 EP 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 (2 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-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 CNR2 1611/4885CNR1 1832/4885HPGD 4155/4885
US-20040065866-A1 Alkenyl compound having a negative delta epsilon value, liquid crystal composition, and liquid crystal display device CTNND1, CCT4, DLK1 CNR2 2495/4885CNR1 1906/4885HPGD 3992/4885

“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.