SCHEMBL5680924

SCHEMBL5680924

CCCCc1c(C)cc(OC(=O)O)c(O)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.41
LDHB P07195 3/20 0.41
ALOX5 P09917 5/20 0.39
ESR1 P03372 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
FFAR1 O14842 1/20 0.34
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
SLC37A4 O43826 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
NCEH1 Q6PIU2 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
SCHEMBL5677656 1.00 LDHA (0.41) LDHALDHBALOX5ESR1NPC1
SCHEMBL5677838 0.97 ALOX5 (0.41) LDHALDHBALOX5ESR1NPC1
SCHEMBL5921133 0.96 ALOX5 (0.44) LDHALDHBALOX5ESR1HCAR3
SCHEMBL5676742 0.96 ALOX5 (0.44) LDHALDHBALOX5ESR1HCAR3
SCHEMBL5678273 0.95 LDHA (0.44) LDHALDHBALOX5ESR1HCAR2
SCHEMBL5676856 0.94 ALOX5 (0.46) ALOX5ESR1NPC1HPGDMAPK1
SCHEMBL5677237 0.91 NPC1 (0.40) LDHALDHBALOX5ESR1NPC1
SCHEMBL5681691 0.87 ALOX5 (0.44) ALOX5ESR1HCAR3HCAR2PTPN1
SCHEMBL5590007 0.87 PPARG (0.39) LDHALDHBALOX5NPC1HPGD
SCHEMBL5676246 0.87 ALOX5 (0.38) LDHALDHBALOX5NPC1HPGD

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 LDHA 3482/4885LDHB 3990/4885ALOX5 833/4885

“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.