SCHEMBL5589466

SCHEMBL5589466

Cc1c(C)c(C(=O)O)c(O)c(O)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.42
LDHB P07195 5/20 0.42
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR35 Q9HC97 3/20 0.37
IMPDH2 P12268 2/20 0.37
DPP4 P27487 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL5589137 0.86 LDHA (0.42) LDHALDHBCYP3A4ALDH1A1HPGD
SCHEMBL10404342 0.85 LDHA (0.52) LDHALDHBCYP3A4ALDH1A1HPGD
SCHEMBL31643620 0.82 CYP3A4 (0.43) LDHALDHBCYP3A4ALDH1A1HPGD
SCHEMBL27739936 0.81 LDHA (0.39) LDHALDHBCYP3A4ALDH1A1HPGD
SCHEMBL31638821 0.80 GPR35 (0.39) LDHALDHBCYP3A4ALDH1A1CYP1A2
SCHEMBL5590144 0.78 LDHA (0.57) LDHALDHBCYP3A4ALDH1A1HPGD
SCHEMBL5590558 0.78 LDHA (0.38) LDHALDHBALDH1A1CYP1A2CYP2C19
SCHEMBL31644107 0.77 CYP3A4 (0.39) LDHALDHBCYP3A4ALDH1A1HPGD
SCHEMBL11682268 0.77 CA1 (0.53) CYP3A4ALDH1A1HPGDTP53CYP1A2
SCHEMBL5590055 0.77 ALOX15 (0.35) CYP3A4ALDH1A1HPGDTP53CYP1A2

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 LDHA 320/4885LDHB 486/4885CYP3A4 1449/4885

“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.