SCHEMBL2867895

SCHEMBL2867895

O=P(OC1CCCCC1)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX1 P07099 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL3630309 1.00 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL3630177 0.97 ACHE (0.46) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL145689 0.89 ACHE (0.54) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL31427641 0.89 ACHE (0.54) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL31427640 0.89 ACHE (0.54) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL159389 0.89 ACHE (0.54) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL158755 0.89 ACHE (0.54) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL28508461 0.87 ACHE (0.41) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL269923 0.86 ACHE (0.44) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL156375 0.86 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858661-B2 Protein refolding agent and refolding method SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-28 US disclosed
US-20100168403-A1 Protein refolding agent and refolding method YAMAGUCHI SHUNICHLRO 2010-07-01 US disclosed
US-7709409-B2 Mixed catalytic composition CHEMTURA ORGANOMETALLICS GMBH (DE) 2010-05-04 US disclosed
US-20090111971-A1 PROTEIN REFOLDING AGENT AND REFOLDING METHOD SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-30 US disclosed
US-20070179045-A1 Mixed catalytic composition PMC VLISSINGEN NETHERLANDS, B.V. (NL) 2007-08-02 US disclosed
US-20060052575-A1 Mixed catalyst composition CHEMTURA ORGANOMETALLICS GMBH (DE) 2006-03-09 US disclosed
EP-1567473-A1 MIXED CATALYTIC COMPOSITION Crompton GmbH (DE) 2005-08-31 EP disclosed
WO-2004050597-A1 MIXED CATALYTIC COMPOSITION CROMPTON GMBH (DE) 2004-06-17 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 (2 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-20090111971-A1 PROTEIN REFOLDING AGENT AND REFOLDING METHOD HSPA5, HSPBP1, RRBP1 ACHE 1671/4885NPSR1 4619/4885MEN1 4880/4885
US-20100168403-A1 Protein refolding agent and refolding method HSPA5, HSPBP1, RRBP1 ACHE 1709/4885NPSR1 4607/4885MEN1 4869/4885

“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.