SCHEMBL5676259

SCHEMBL5676259

CCCc1c(CC)cc(O)c(O)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.42
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
BACE1 P56817 1/20 0.38
ALOX5 P09917 4/20 0.38
PRKCI P41743 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
HMGCR P04035 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL5676592 0.94 PGAM1 (0.43) PGAM1ALOX15ALOX12BACE1ALOX5
SCHEMBL5678590 0.92 PGAM1 (0.42) PGAM1ALOX15ALOX12BACE1ALOX5
SCHEMBL5586815 0.87 ALOX15 (0.43) ALOX15ALOX12BACE1PTPN1GABRA1
SCHEMBL5680801 0.87 HTT (0.47) PGAM1ALOX5LDHALDHBNPC1
SCHEMBL5677944 0.85 ALOX5 (0.47) ALOX15ALOX5HTT
SCHEMBL5920192 0.85 ALOX5 (0.51) PGAM1ALOX15ALOX5NPC1HPGD
SCHEMBL5589047 0.83 HMGCR (0.42) PGAM1ALOX15ALOX5PRKCIPTPN1
SCHEMBL5920071 0.82 PGAM1 (0.41) PGAM1ALOX15ALOX12BACE1ALOX5
SCHEMBL5676052 0.82 LDHA (0.39) PGAM1ALOX15ALOX12BACE1ALOX5
SCHEMBL5920555 0.82 HTT (0.50) ALOX5NPC1HPGDMAPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR PGAM1 2653/4885ALOX15 907/4885ALOX12 764/4885

“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.