SCHEMBL5586993

SCHEMBL5586993

CCCc1cc(CCC)c(O)c(OC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.42
PTPN11 Q06124 3/20 0.42
ALOX5 P09917 6/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GABRA1 P14867 6/20 0.38
GABRB2 P47870 6/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HMGCR P04035 1/20 0.38
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
PTPN2 P17706 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 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
SCHEMBL5680771 0.94 TRPV1 (0.42) PTPN1PTPN11ALOX5NFKB1NFKB2
SCHEMBL5676247 0.92 ALOX5 (0.40) PTPN1PTPN11ALOX5NFKB1NFKB2
SCHEMBL5676110 0.92 ALOX5 (0.43) PTPN1PTPN11ALOX5NFKB1NFKB2
SCHEMBL5676409 0.92 PTPN1 (0.39) PTPN1PTPN11ALOX5NFKB1NFKB2
SCHEMBL5676230 0.91 ALOX5 (0.49) ALOX5CYP3A4TRPV1PTGS2
SCHEMBL5678371 0.91 ALOX5 (0.46) ALOX5ALDH1A1CYP3A4TRPV1PTGS2
SCHEMBL981615 0.88 ALOX5 (0.44) ALOX5NFKB1NFKB2RELAALDH1A1
SCHEMBL4372737 0.87 PTPN1 (0.40) PTPN1PTPN11ALOX5ALDH1A1CYP3A4
SCHEMBL5678434 0.86 ALOX5 (0.50) ALOX5ALDH1A1CYP3A4TRPV1PTGS2
SCHEMBL5676725 0.85 ALOX5 (0.49) ALOX5CYP3A4TRPV1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR PTPN1 4673/4885PTPN11 4670/4885ALOX5 833/4885
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 PTPN1 4679/4885PTPN11 4354/4885ALOX5 188/4885

“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.