SCHEMBL10043067

SCHEMBL10043067

CCc1ccc(C2CCC(C3CCC4(CC3)OCCO4)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
SPHK1 Q9NYA1 7/20 0.35
C5AR1 P21730 3/20 0.35
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
SPHK2 Q9NRA0 3/20 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
SCHEMBL15048455 1.00 PDE10A (0.36) PDE10ASPHK1C5AR1MAPTSMN1; SMN2
SCHEMBL3480720 0.89 SPHK1 (0.43) SPHK1C5AR1ALDH1A1SPHK2
SCHEMBL18251916 0.83 L3MBTL1 (0.39) PDE10AMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL19339361 0.80 ESR2 (0.49)
SCHEMBL9136952 0.80 POLB (0.43) C5AR1MAPTNPSR1ALDH1A1
SCHEMBL9628453 0.80 POLB (0.43) C5AR1MAPTNPSR1ALDH1A1
SCHEMBL18255379 0.80 RAB9A (0.48) ALDH1A1
SCHEMBL8451083 0.79 SPHK1 (0.43) SPHK1C5AR1ALDH1A1SPHK2
SCHEMBL7752429 0.78 PDE10A (0.37) PDE10AC5AR1ALDH1A1
SCHEMBL14403053 0.77 ESR2 (0.42)

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-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

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 PDE10A 3019/4885SPHK1 1060/4885C5AR1 1384/4885

“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.