SCHEMBL5680856

SCHEMBL5680856

CCCCc1c(CCC)cc(CC)c(OC(=O)O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 4/20 0.35
PTPN11 Q06124 2/20 0.35
LDHA P00338 2/20 0.35
LDHB P07195 2/20 0.35
ALOX5 P09917 5/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
PTPN2 P17706 1/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
FFAR1 O14842 1/20 0.33
ESR1 P03372 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
SCHEMBL5677054 0.96 NPC1 (0.37) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5680436 0.94 ALOX5 (0.37) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5677849 0.94 LDHA (0.35) LDHALDHBALOX5PPARGPPARA
SCHEMBL5680948 0.94 NPC1 (0.38) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5676838 0.93 ALOX5 (0.39) PTPN1ALOX5PPARGPPARAPPARD
SCHEMBL5680727 0.92 ALOX5 (0.41) PTPN1ALOX5PPARGPPARAPPARD
SCHEMBL5848804 0.91 ALOX5 (0.40) PTPN1ALOX5PPARGPPARAHCAR3
SCHEMBL5676191 0.91 ALOX5 (0.40) PTPN1ALOX5PPARGPPARAPPARD
SCHEMBL5920266 0.91 PPARG (0.38) PTPN1PTPN11LDHALDHBALOX5
SCHEMBL5677030 0.90 ALOX5 (0.42) PTPN1ALOX5PPARGPPARAPPARD

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.