SCHEMBL5588093

SCHEMBL5588093

CCCc1c(Br)c(Br)c(OC)c(O)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.41
▸ LDHA P00338 3/20 0.40
▸ LDHB P07195 3/20 0.40
▸ CA2 P00918 6/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA1 P00915 5/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA6 P23280 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ TPMT P51580 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ JUN P05412 1/20 0.33
▸ F2 P00734 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
SCHEMBL5587088 0.82 THRA (0.43) LDHALDHB
SCHEMBL5587646 0.82 LDHA (0.49) PTPN1LDHALDHBCA2CA4
SCHEMBL5589910 0.79 LDHA (0.44) PTPN1LDHALDHBPPARGPPARD
SCHEMBL5588802 0.79 LDHA (0.46) PTPN1LDHALDHBPPARGPPARD
SCHEMBL5588140 0.78 LDHA (0.40) PTPN1LDHALDHBPPARGPPARD
SCHEMBL5588771 0.78 PTPN1 (0.55) PTPN1CA2CA4CA1CA12
SCHEMBL5588528 0.77 LDHA (0.39) PTPN1LDHALDHBPPARGPPARD
SCHEMBL5587554 0.76 LDHA (0.50) PTPN1LDHALDHBPPARGPPARD
SCHEMBL29405198 0.75 LDHA (0.40) PTPN1LDHALDHBPPARGPPARD
SCHEMBL5587161 0.75 LDHA (0.49) PTPN1LDHALDHBCA2CA4

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 5 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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 — — EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 — — 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 PTPN1 4679/4885LDHA 320/4885LDHB 486/4885

“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.

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