SCHEMBL5588964

SCHEMBL5588964

CC1=C(Br)C(Br)=C(C)C(=O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
DUSP3 P51452 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
SCHEMBL1393351 0.85 ALDH1A1 (0.62) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL31415086 0.81 ALDH1A1 (0.52) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL14507717 0.81 ALDH1A1 (0.52) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL10486657 0.79 MAOA (0.36) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL7745668 0.79 ALDH1A1 (0.56) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9518495 0.79 ALDH1A1 (0.56) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL20362151 0.77 ALDH1A1 (0.48) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL13581861 0.70 MAOA (0.36) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8252760 0.68 AURKA (0.46) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
Dibromothymoquinone SCHEMBL919786 0.67 ALDH1A1 (0.45) ALDH1A1TP53CYP1A2CYP3A4CYP2D6

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 ALDH1A1 2181/4885TP53 3753/4885CYP1A2 2390/4885

“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.