SCHEMBL3593459

SCHEMBL3593459

N[CH]CCCCCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 2/20 0.54
SIGMAR1 Q99720 10/20 0.52
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTR2A P28223 1/20 0.48
IDO1 P14902 1/20 0.47

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
SCHEMBL3593381 1.00 MAOA (0.56) MAOAMAOBSIGMAR1CYP2D6MAPT
SCHEMBL3581977 1.00 MAOA (0.56) MAOAMAOBSIGMAR1CYP2D6MAPT
SCHEMBL3598070 1.00 MAOA (0.56) MAOAMAOBSIGMAR1CYP2D6MAPT
SCHEMBL3584524 1.00 MAOA (0.56) MAOAMAOBSIGMAR1CYP2D6MAPT
SCHEMBL3597857 1.00 MAOA (0.56) MAOAMAOBSIGMAR1CYP2D6MAPT
SCHEMBL3585702 1.00 MAOA (0.56) MAOAMAOBSIGMAR1CYP2D6MAPT
SCHEMBL3590748 1.00 MAOA (0.56) MAOAMAOBSIGMAR1CYP2D6MAPT
SCHEMBL3592753 1.00 MAOA (0.56) MAOAMAOBSIGMAR1CYP2D6MAPT
SCHEMBL3582028 0.91 MAOA (0.54) MAOAMAOBSIGMAR1CYP2D6HTR2A
SCHEMBL6014627 0.83 MAOA (0.52) MAOAMAOBSIGMAR1MAPTRXFP1

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-7741242-B2 Prepared by crosslinking a homogenized an addition polymer containing units from an unsaturated aryl-containing glycidyl ether or ester and an unsaturated alcohol or carboxylic acid and a zero-valent Pd compound to physically deposit the Pd compound on the polymer; oxidizing alcohols to aldehydes WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
EP-1537913-B1 PALLADIUM CATALYST COMPOSITION WAKO PURE CHEMICAL INDUSTIES L (JP) 2009-07-01 EP disclosed
US-20060019822-A1 Palladium catalyst composition JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-01-26 US disclosed
EP-1537913-A1 PALLADIUM CATALYST COMPOSITION Wako Pure Chemical Industies, Ltd. (JP) 2005-06-08 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-20060019822-A1 Palladium catalyst composition ODC1, NUDC, ADH1C MAOA 1512/4885MAOB 1581/4885SIGMAR1 3068/4885

“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.