SCHEMBL9507719

SCHEMBL9507719

CC(O)CCC(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 0.31
CTSK P43235 1/20 0.31
LMNA P02545 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
SCHEMBL26328986 0.85 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL14593930 0.83 KMT2A (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL28718237 0.83 KMT2A (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL24719148 0.81 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL17449756 0.81 CTSK (0.38) NOS1NOS3NOS2CA1CA2
SCHEMBL6740323 0.81 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL934150 0.81 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL12236056 0.81 CTSK (0.38) NOS1NOS3NOS2CA1CA2
SCHEMBL13847625 0.81 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL28722541 0.80 LTA4H (0.46) NOS1NOS3NOS2CA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9523038-B2 Dihydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-20 US disclosed
US-20150252264-A1 DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-09-10 US disclosed
US-9102871-B2 Liquid crystal compound showing negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-11 US disclosed
US-20130277610-A1 LIQUID CRYSTAL COMPOUND SHOWING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-10-24 US disclosed
EP-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 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-20150252264-A1 DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, CNKSR1, DRG1 MAPK1 369/4885NOS1 2890/4885NOS3 3683/4885

“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.