SCHEMBL5587580

SCHEMBL5587580

CCOc1c(C)ccc(OC(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
PTPN1 P18031 2/20 0.38
GLA P06280 1/20 0.37
TSHR P16473 3/20 0.36
ESR1 P03372 1/20 0.36
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5588864 0.88 PTPN1 (0.36) KDM4EL3MBTL1HSD17B10PTPN1TSHR
SCHEMBL5588498 0.87 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL5590425 0.85 ESR1 (0.40) ALDH1A1HPGDTSHRESR1THRB
SCHEMBL5588247 0.84 METAP2 (0.37) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL5589251 0.84 ESR1 (0.43) ALDH1A1HPGDTSHRESR1THRB
SCHEMBL5587146 0.84 ESR1 (0.43) ALDH1A1HPGDTSHRESR1THRB
SCHEMBL5591152 0.84 ESR1 (0.43) ALDH1A1HPGDTSHRESR1THRB
SCHEMBL5587337 0.81 TDP1 (0.46) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL28543538 0.81 ESR1 (0.41) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL5588019 0.80 PRKCI (0.39) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD

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 KDM4E 1868/4885L3MBTL1 823/4885ALDH1A1 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.