SCHEMBL5589799

SCHEMBL5589799

CCCCCCCCCCOc1cc(OC(=O)O)c(O)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.43
PLA2G2A P14555 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMPD1 P17405 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
S1PR3 Q99500 1/20 0.41
PTPN11 Q06124 1/20 0.41
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5588407 0.94 ESR1 (0.41) ESR1ALDH1A1THRATHRBTP53
SCHEMBL5590501 0.86 THRA (0.45) ESR1PLA2G2AALDH1A1HPGDSMPD1
SCHEMBL5590557 0.86 THRA (0.45) ESR1PLA2G2AALDH1A1HPGDSMPD1
SCHEMBL5589143 0.86 THRA (0.45) ESR1PLA2G2AALDH1A1HPGDSMPD1
SCHEMBL5589982 0.86 THRA (0.45) ESR1PLA2G2AALDH1A1HPGDSMPD1
SCHEMBL5588020 0.84 THRA (0.43) ESR1PLA2G2AALDH1A1HPGDSMPD1
SCHEMBL5587429 0.83 ALOX5 (0.46) ESR1PLA2G2AALDH1A1HPGDSMPD1
SCHEMBL5588327 0.83 ALOX5 (0.46) ESR1PLA2G2AALDH1A1HPGDSMPD1
SCHEMBL5587142 0.83 ESR1 (0.45) ESR1PLA2G2ATHRATHRBAKR1C4
SCHEMBL5588157 0.83 ALOX5 (0.46) ESR1PLA2G2AALDH1A1HPGDSMPD1

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 ESR1 1108/4885PLA2G2A 4233/4885ALDH1A1 2181/4885

“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.