SCHEMBL5590632

SCHEMBL5590632

CCOc1cc(OC(=O)O)c(O)c(OCC)c1OCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
CYP3A4 P08684 1/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GLA P06280 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL6231795 0.83 TSHR (0.42) TSHRCYP3A4HTTLMNAGAA
SCHEMBL6234046 0.83 TSHR (0.42) TSHRCYP3A4HTTLMNAGAA
SCHEMBL6252173 0.83 TSHR (0.42) TSHRCYP3A4HTTLMNAGAA
SCHEMBL5588020 0.81 THRA (0.43) ALDH1A1THRB
SCHEMBL5588498 0.81 KDM4E (0.44) TSHRHTTLMNASMN1; SMN2GLA
SCHEMBL6231511 0.81 ALOX5 (0.41) TSHRCYP3A4HTTLMNAGAA
SCHEMBL5590488 0.81 TSHR (0.38) TSHRCYP3A4HTTLMNAGAA
SCHEMBL5590501 0.80 THRA (0.45) CYP3A4LMNAMEN1KMT2AALDH1A1
SCHEMBL5589982 0.80 THRA (0.45) CYP3A4LMNAMEN1KMT2AALDH1A1
SCHEMBL5589143 0.80 THRA (0.45) CYP3A4LMNAMEN1KMT2AALDH1A1

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 TSHR 4680/4885CYP3A4 1449/4885HTT 3594/4885

“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.