SCHEMBL3584587

SCHEMBL3584587

CCCCCCC(N)c1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
CSNK1E P49674 1/20 0.42
CA2 P00918 1/20 0.35
OPRM1 P35372 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
S1PR2 O95136 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.33
HTR2A P28223 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HDAC8 Q9BY41 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3596265 1.00 SLC2A1 (0.42) SLC2A1CSNK1ECA2OPRM1SPHK1
SCHEMBL3588309 1.00 SLC2A1 (0.42) SLC2A1CSNK1ECA2OPRM1SPHK1
SCHEMBL3593182 1.00 SLC2A1 (0.42) SLC2A1CSNK1ECA2OPRM1SPHK1
SCHEMBL3587171 1.00 SLC2A1 (0.42) SLC2A1CSNK1ECA2OPRM1SPHK1
SCHEMBL3589416 1.00 SLC2A1 (0.42) SLC2A1CSNK1ECA2OPRM1SPHK1
SCHEMBL3584829 1.00 SLC2A1 (0.42) SLC2A1CSNK1ECA2OPRM1SPHK1
SCHEMBL3587597 0.98 SLC2A1 (0.40) SLC2A1CSNK1ECA2OPRM1SPHK1
SCHEMBL3593091 0.93 SLC2A1 (0.34) SLC2A1CSNK1ECA2
SCHEMBL3581329 0.86 AOC3 (0.33)
SCHEMBL983413 0.83 NR1I2 (0.40) CSNK1EPRSS1PRSS2PRSS3

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 SLC2A1 4051/4885CSNK1E 3523/4885CA2 2021/4885

“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.