SCHEMBL5677237

SCHEMBL5677237

CCCCc1c(O)c(OC(=O)O)cc(C)c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 5/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
ESR1 P03372 2/20 0.37
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
SMPD3 Q9NY59 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
PTPN1 P18031 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
SCHEMBL5677838 0.94 ALOX5 (0.41) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5677656 0.91 LDHA (0.41) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5676856 0.91 ALOX5 (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5680924 0.91 LDHA (0.41) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5681691 0.90 ALOX5 (0.44) ALOX5ESR1HCAR3HCAR2PPARG
SCHEMBL5677861 0.89 LDHA (0.33) HPGDNPSR1ALOX5PKMESR1
SCHEMBL5588184 0.88 ALOX5 (0.39) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5677754 0.87 PPARG (0.39) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5921133 0.87 ALOX5 (0.44) ALOX5ESR1LDHALDHBHCAR3
SCHEMBL5676742 0.87 ALOX5 (0.44) ALOX5ESR1LDHALDHBHCAR3

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 NPC1 3879/4885HPGD 2482/4885MAPK1 2361/4885

“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.