SCHEMBL1509906

SCHEMBL1509906

CCCC1CCC(C2CCC(O)(c3ccccc3OCCF)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.38
SIGMAR1 Q99720 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CHRM4 P08173 1/20 0.35
IDO1 P14902 1/20 0.33
PDK2 Q15119 4/20 0.32
SLC6A1 P30531 1/20 0.32
SLC6A12 P48065 1/20 0.32
SLC6A11 P48066 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
OPRD1 P41143 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL1509960 0.78 HTR1D (0.47) KCNH2OPRM1DRD2DRD3HTR2C
SCHEMBL2931710 0.77 S1PR5 (0.34) OPRM1OPRK1OPRL1PDK2
SCHEMBL2882641 0.75 OPRM1 (0.32) OPRM1OPRK1OPRL1PDK2HTR2A
SCHEMBL13235182 0.75 OPRM1 (0.32) OPRM1OPRK1OPRL1PDK2HTR2A
SCHEMBL10910104 0.74 OPRL1 (0.47) OPRM1OPRK1OPRL1CHRM4OPRD1
SCHEMBL7215216 0.74 OPRL1 (0.47) OPRM1OPRK1OPRL1CHRM4OPRD1
SCHEMBL10910108 0.74 OPRL1 (0.47) OPRM1OPRK1OPRL1CHRM4OPRD1
SCHEMBL21173696 0.74 HTR1D (0.38) KCNH2DRD2DRD3HTR2C
SCHEMBL5685967 0.73 PSEN1 (0.38) OPRM1OPRK1OPRL1
SCHEMBL5685971 0.73 PSEN1 (0.38) OPRM1OPRK1OPRL1

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 KCNH2 122/4885SIGMAR1 4171/4885OPRM1 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.