SCHEMBL5588771

SCHEMBL5588771

COc1c(O)c(C(=O)O)c(Br)c(Br)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.55
▸ F2 P00734 2/20 0.45
▸ PRSS1 P07477 2/20 0.45
▸ PRSS2 P07478 2/20 0.45
▸ PRSS3 P35030 2/20 0.45
▸ TPMT P51580 2/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ GAA P10253 1/20 0.36
▸ CA2 P00918 5/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA12 O43570 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL5589173 0.79 THRB (0.40) PTPN1F2PRSS1PRSS2PRSS3
SCHEMBL10678395 0.79 PTPN1 (0.48) PTPN1F2PRSS1PRSS2PRSS3
SCHEMBL5588093 0.78 PTPN1 (0.41) PTPN1F2PRSS1PRSS2PRSS3
SCHEMBL11430277 0.78 PTPN1 (0.48) PTPN1TPMTHSD17B10KDM4EALDH1A1
SCHEMBL5590730 0.77 THRA (0.36) PTPN1F2PRSS1PRSS2PRSS3
SCHEMBL11339453 0.75 CA1 (0.47) PTPN1F2PRSS1PRSS2PRSS3
SCHEMBL5587047 0.74 THRA (0.47) KDM4E
SCHEMBL5589033 0.74 KDM4E (0.45) PTPN1TPMTHSD17B10KDM4EALDH1A1
SCHEMBL9333813 0.74 PTPN1 (0.64) PTPN1F2PRSS1PRSS2PRSS3
SCHEMBL11791216 0.73 CA2 (0.53) PTPN1TPMTHSD17B10ALDH1A1MAPT

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 4679/4885F2 1524/4885PRSS1 4187/4885

“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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