SCHEMBL3593094

SCHEMBL3593094

NCCCCCc1cc[c]cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
HRH1 P35367 5/20 0.57
HTR2A P28223 2/20 0.47
SIGMAR1 Q99720 1/20 0.39
DNM1 Q05193 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL27478848 1.00 MAOA (0.58) MAOAHRH1HTR2ASIGMAR1DNM1
SCHEMBL3581333 0.98 MAOA (0.60) MAOAHRH1HTR2ASIGMAR1
SCHEMBL309769 0.91 MAOA (0.50) MAOAHRH1HTR2ASIGMAR1
SCHEMBL11690401 0.88 SIGMAR1 (0.41) MAOAHRH1HTR2ASIGMAR1
SCHEMBL11803736 0.85 MAOA (0.40) MAOAHRH1HTR2ASIGMAR1
SCHEMBL9350714 0.83 MAOA (0.71) MAOAHRH1HTR2ADNM1CA12
SCHEMBL7510277 0.82 HRH1 (0.38) MAOAHRH1HTR2ASIGMAR1
SCHEMBL2138046 0.82 HRH1 (0.38) MAOAHRH1HTR2ASIGMAR1
SCHEMBL4629583 0.82 HRH1 (0.38) MAOAHRH1HTR2ASIGMAR1
SCHEMBL758587 0.80

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-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
EP-1228061-A4 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND METHODS OF MAKING AND USING DIPEPTIDYL PEPTIDASE IV INHIBITORS GUILFORD PHARM INC (US) 2004-12-15 EP disclosed
EP-1228061-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND METHODS OF MAKING AND USING DIPEPTIDYL PEPTIDASE IV INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-08-07 EP disclosed
WO-2001034594-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND METHODS OF MAKING AND USING DIPEPTIDYL PEPTIDASE IV INHIBITORS GUILFORD PHARMACEUTICALS, INC. (US) 2001-05-17 WO 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 1512/4885HRH1 2656/4885HTR2A 4855/4885

“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.