SCHEMBL5590730

SCHEMBL5590730

CCCOc1c(O)c(C(=O)O)c(Br)c(Br)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.36
▸ THRB P10828 4/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ GSTA1 P08263 2/20 0.32
▸ GSTP1 P09211 2/20 0.32
▸ F2 P00734 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CREB1 P16220 1/20 0.31
▸ HCAR2 Q8TDS4 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
SCHEMBL5587047 0.90 THRA (0.47) THRATHRBSMN1; SMN2TP53ESR1
SCHEMBL5589847 0.89 THRA (0.48) THRATHRBKMT2AMEN1TP53
SCHEMBL5588922 0.88 THRA (0.49) THRATHRBKMT2AMEN1TP53
SCHEMBL5589381 0.88 THRA (0.49) THRATHRBKMT2AMEN1TP53
SCHEMBL5590584 0.88 THRA (0.49) THRATHRBKMT2AMEN1TP53
SCHEMBL5588790 0.88 THRA (0.49) THRATHRBKMT2AMEN1TP53
SCHEMBL5590428 0.88 THRA (0.49) THRATHRBKMT2AMEN1TP53
SCHEMBL5589173 0.86 THRB (0.40) THRBKMT2AALDH1A1MEN1PTPN1
SCHEMBL5588784 0.79 KMT2A (0.38) THRATHRBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5587932 0.78 THRA (0.44) THRATHRBSMN1; SMN2TP53ESR1

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 THRA 3787/4885THRB 3757/4885KMT2A 1733/4885

“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.

Send feedback