SCHEMBL4450799

SCHEMBL4450799

O=C(O)CC(CO)CCCP(CCCC(CO)CC(=O)O)CCCP(CCCC(CO)CC(=O)O)CCCC(CO)CC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
GSTK1 Q9Y2Q3 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 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
Acetic Acid SCHEMBL7163496 0.90
SCHEMBL5724703 0.89 ALDH1A1 (0.38) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5724706 0.89 ALDH1A1 (0.38) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4445541 0.80 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL4952556 0.77 GPR84 (0.41) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4654992 0.75 ALDH1A1 (0.58) SLC22A6ALDH1A1LMNATDP1
SCHEMBL5112958 0.75 ALDH1A1 (0.58) SLC22A6ALDH1A1LMNATDP1
SCHEMBL5104868 0.75 ALDH1A1 (0.58) SLC22A6ALDH1A1LMNATDP1
SCHEMBL7820083 0.75 SLC22A6 (0.33) SLC22A6CACNA2D1CACNB3CACNA1CPGR
Acetic Acid SCHEMBL7164585 0.74 ALDH1A1 (0.33) ALDH1A1LMNA

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-20090030093-A1 METHOD FOR EMULSION POLYMERISATION OF OLEFINS BASF AKTIENGESSELLSCHAFT (DE) 2009-01-29 US disclosed
US-7417098-B2 Method for emulsion polymerisation of olefins BASF SE (DE) 2008-08-26 US disclosed
US-20080182915-A1 METHOD FOR EMULSION POLYMERISATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2008-07-31 US disclosed
US-20070043163-A1 Method for emulsion polymerisation of olefins BASF AKTIENGESELLSCHAFT (DE) 2007-02-22 US disclosed
EP-1345983-B1 METHOD OF PRODUCING AQUEOUS COPOLYMER DISPERSIONS FROM COPOLYMERS THAT COMPRISE CARBON MONOXIDE AND AT LEAST ONE OLEFINICALLY UNSATURATED COMPOUND BASF AG (DE) 2005-01-12 EP disclosed
US-20040030040-A1 Method of producing aqueous copolymer dispersions from copolymers that comprise carbon monoxide and at least one olefinically unsaturated compound BASF AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
EP-1260537-A1 Process for the preparation of carbon monoxide- olefin copolymers in aqueous media BASF AKTIENGESELLSCHAFT (DE) 2002-11-27 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 (3 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-20080182915-A1 METHOD FOR EMULSION POLYMERISATION OF OLEFINS SQLE, PHOSPHO1, ALOX15 SLC22A6 2599/4885CACNA2D1 3275/4885CACNB3 4706/4885
US-20070043163-A1 Method for emulsion polymerisation of olefins PHOSPHO1, SQLE, ALOX15 SLC22A6 2460/4885CACNA2D1 3121/4885CACNB3 4600/4885
US-20090030093-A1 METHOD FOR EMULSION POLYMERISATION OF OLEFINS PHOSPHO1, SQLE, ALOX15 SLC22A6 2460/4885CACNA2D1 3121/4885CACNB3 4600/4885

“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.