SCHEMBL10043332

SCHEMBL10043332

Fc1cc(C2CCCCC2)ccc1C1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.39
KMO O15229 1/20 0.36
ACMSD Q8TDX5 2/20 0.35
BACE1 P56817 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
EPHX2 P34913 1/20 0.33
HTR1D P28221 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
APP P05067 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL10043143 0.97 OPRL1 (0.39) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL18411544 0.92 OPRL1 (0.42) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL18458718 0.92 OPRL1 (0.42) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL8328994 0.89 OPRL1 (0.46) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL19159768 0.87 OPRL1 (0.39) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL18458714 0.87 ESR2 (0.40) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL10043333 0.87 ESR2 (0.40) OPRL1
SCHEMBL19500489 0.87 OPRL1 (0.39) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL10043144 0.87 ESR2 (0.40) OPRL1
SCHEMBL10043153 0.86 OPRL1 (0.41) OPRL1KMOACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 US disclosed
WO-2010146992-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-12-23 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 (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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 OPRL1 2105/4885KMO 345/4885ACMSD 2305/4885

“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.