SCHEMBL3114037

SCHEMBL3114037

NC(=O)C=CC1CCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
EPHX1 P07099 6/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GRIK1 P39086 2/20 0.34
ALOX5 P09917 1/20 0.33
PADI4 Q9UM07 1/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRIK2 Q13002 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
SCHEMBL163417 1.00 GRIN1 (0.41) GRIN1GRIN2BEPHX1CES2CES1
SCHEMBL4079497 1.00 GRIN1 (0.41) GRIN1GRIN2BEPHX1CES2CES1
SCHEMBL532572 0.98 GRIN1 (0.39) GRIN1GRIN2BEPHX1CES2CES1
SCHEMBL4743867 0.93
SCHEMBL730203 0.87 HDAC2 (0.34) GRIN1GRIN2B
SCHEMBL543403 0.87
SCHEMBL761935 0.80 CES2 (0.38) GRIN1GRIN2BEPHX1CES2CES1
SCHEMBL6360578 0.79 EPHX2 (0.33)
SCHEMBL23749603 0.78 HTT (0.47) GRIN1GRIN2BCES2CES1GRIK1
SCHEMBL9743609 0.78 HTT (0.47) GRIN1GRIN2BCES2CES1GRIK1

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-20100179130-A1 USE OF PIPERINE AND DERIVATIVES THEREOF FOR THE THERAPY OF NEUROLOGICAL CONDITIONS SYNGIS Bioscience GmbH & Co. KG (DE) 2010-07-15 US disclosed
US-7500895-B2 Patterned substrate, electro-optical device, and method for manufacturing an electro-optical device SEIKO EPSON CORPORATION (JP) 2009-03-10 US disclosed
US-20060127563-A1 Patterned substrate, electro-optical device, and method for manufacturing an electro-optical device SEIKO EPSON CORPORATION (JP) 2006-06-15 US disclosed
US-20050287392-A1 Organic electroluminescent device, method for producing the same, and electronic apparatus SEIKO EPSON CORPORATION (JP) 2005-12-29 US disclosed
US-5554496-A SHIELDING AN ANTICURL BACKING LAYER FROM PROCESSING SOLUTIONS; HYDROPHOBIC POLYMER; QUICK-DRYING, NONCRACKING FUJI PHOTO FILM CO., LTD. (JP) 1996-09-10 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-20100179130-A1 USE OF PIPERINE AND DERIVATIVES THEREOF FOR THE THERAPY OF NEUROLOGICAL CONDITIONS PRPH, BDNF, GAP43 GRIN1 114/4885GRIN2B 170/4885EPHX1 990/4885

“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.