SCHEMBL5590629

SCHEMBL5590629

CCOc1cc(O)c(O)c(OCC)c1OCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TUBB1 Q9H4B7 2/20 0.44
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ESR1 P03372 1/20 0.39
GLA P06280 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL28058188 0.86 TSHR (0.46) TSHRTUBB1ALDH1A1HTTLMNA
SCHEMBL28625199 0.85 TSHR (0.48) TSHRTUBB1ALDH1A1HTTLMNA
SCHEMBL10900428 0.82 TSHR (0.43) TSHRTUBB1ALDH1A1HTTLMNA
SCHEMBL11878238 0.80 ALOX5 (0.45) TUBB1ALDH1A1LMNAHTR2AHTR2C
SCHEMBL6234043 0.80 ALOX5 (0.49) TSHRTUBB1ALDH1A1HTTLMNA
SCHEMBL6252167 0.80 TSHR (0.41) TSHRTUBB1ALDH1A1HTTLMNA
SCHEMBL6231787 0.80 TSHR (0.41) TSHRTUBB1ALDH1A1HTTLMNA
SCHEMBL5588489 0.78 TSHR (0.47) TSHRTUBB1ALDH1A1HTTLMNA
SCHEMBL9047513 0.77 EPHX2 (0.45) TSHRTUBB1ALDH1A1HTTLMNA
SCHEMBL6231507 0.77 ALOX5 (0.57) TSHRTUBB1ALDH1A1HTTLMNA

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 4680/4885TUBB1 2250/4885ALDH1A1 2181/4885

“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.