SCHEMBL1509929

SCHEMBL1509929

CCCC1CCC(C2CCC(CCOc3cccc(C(F)F)c3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
IDO1 P14902 4/20 0.34
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
SCN9A Q15858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
PPARG P37231 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
HRH2 P25021 2/20 0.31
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR7 P34969 2/20 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
SCHEMBL1509975 0.82 KCNH2 (0.35) MCHR1DRD1DRD4HRH2HTR1D
SCHEMBL1510001 0.81 CYP2C9 (0.38) OPRK1PPARGDRD1DRD4HRH2
SCHEMBL1509946 0.80 HPGD (0.40) MCHR1IDO1SCN9A
SCHEMBL7737020 0.79 L3MBTL1 (0.39) MCHR1L3MBTL1TDP1HTR1DHTR1B
SCHEMBL7737012 0.79 L3MBTL1 (0.39) MCHR1L3MBTL1TDP1HTR1DHTR1B
SCHEMBL7737016 0.79 L3MBTL1 (0.39) MCHR1L3MBTL1TDP1HTR1DHTR1B
SCHEMBL15803732 0.78 MCHR1 (0.34) MCHR1IDO1OPRL1SCN9APPARG
SCHEMBL9346475 0.77 L3MBTL1 (0.39) L3MBTL1PPARGCYP1A2CYP2D6CYP2C19
SCHEMBL10021049 0.75 L3MBTL1 (0.31) L3MBTL1PPARGCYP1A2CYP2D6CYP2C19
SCHEMBL15722920 0.74 RIPK1 (0.43) HTR2CSLC6A4HTR7HTR2B

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-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
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
EP-1731493-A1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 2006-12-13 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 (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 MCHR1 3472/4885IDO1 2102/4885OPRM1 4010/4885

“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.