SCHEMBL12926348

SCHEMBL12926348

C=CCOCCOCCOc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.53
LTA4H P09960 4/20 0.44
NR5A1 Q13285 1/20 0.44
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
MGAM O43451 3/20 0.39
GAA P10253 3/20 0.39
SI P14410 3/20 0.39
MGAM2 Q2M2H8 3/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL12926342 0.95 APP (0.49) APPLTA4HNR5A1MGAMGAA
SCHEMBL12730987 0.89 NR5A1 (0.53) APPLTA4HNR5A1DRD2DRD4
SCHEMBL6860317 0.84 APP (0.67) APPLTA4HNR5A1DRD2DRD4
SCHEMBL2471330 0.84 APP (0.67) APPLTA4HNR5A1DRD2DRD4
SCHEMBL19284359 0.84 APP (0.67) APPLTA4HNR5A1DRD2DRD4
SCHEMBL9502947 0.83 NR5A1 (0.51) LTA4HNR5A1MGAMGAASI
SCHEMBL14004238 0.83 RARB (0.41) LTA4HALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL9014900 0.83 SLC5A1 (0.43) APPLTA4HALDH1A1L3MBTL1LMNA
SCHEMBL9014872 0.83 SLC5A1 (0.43) APPLTA4HALDH1A1L3MBTL1LMNA
SCHEMBL31316456 0.81 THRB (0.50) DRD2DRD4DRD3ALDH1A1HDAC6

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
US-8354147-B2 Polymerizable liquid crystal compound, composition and polymer JNC CORPORATION (JP) 2013-01-15 US disclosed
US-8354147-B2 Polymerizable liquid crystal compound, composition and polymer JNC CORPORATION (JP) 2013-01-15 US disclosed
US-20110001088-A1 Polymerizable Liquid Crystal Compound, Composition and Polymer CHISSO CORPORATION (JP) 2011-01-06 US disclosed
US-20110001088-A1 Polymerizable Liquid Crystal Compound, Composition and Polymer CHISSO CORPORATION (JP) 2011-01-06 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-20110001088-A1 Polymerizable Liquid Crystal Compound, Composition and Polymer CCNT1, H1-0, CCNA1 APP 356/4885LTA4H 475/4885NR5A1 573/4885

“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.