SCHEMBL5589971

SCHEMBL5589971

CCCCc1c(O)c(O)c(C(=O)OBr)c(CCCC)c1CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
ESR1 P03372 8/20 0.35
HPGD P15428 2/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 2/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5587860 0.95 FFAR1 (0.36) FFAR1LDHALDHBESR1HPGD
SCHEMBL5589513 0.94 PLA2G2A (0.38) FFAR1ESR1PLA2G2APLA2G5AKR1C4
SCHEMBL5587341 0.94 PLA2G2A (0.38) FFAR1ESR1PLA2G2APLA2G5AKR1C4
SCHEMBL5587956 0.94 PLA2G2A (0.38) FFAR1ESR1PLA2G2APLA2G5AKR1C4
SCHEMBL5590478 0.94 PLA2G2A (0.38) FFAR1ESR1PLA2G2APLA2G5AKR1C4
SCHEMBL5587222 0.90 LDHA (0.41) LDHALDHBESR1HSD17B10MAPT
SCHEMBL5587494 0.87 FFAR1 (0.39) FFAR1LDHALDHBESR1HPGD
SCHEMBL5586638 0.83 FFAR1 (0.41) FFAR1LDHALDHBESR1HPGD
SCHEMBL5586656 0.83 FFAR1 (0.41) FFAR1LDHALDHBESR1HPGD
SCHEMBL5588840 0.83 FFAR1 (0.41) FFAR1LDHALDHBESR1HPGD

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 FFAR1 2521/4885LDHA 320/4885LDHB 486/4885

“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.