SCHEMBL5586529

SCHEMBL5586529

CCCCc1cc(Br)c(CCCC)c(O)c1OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
THRA P10827 4/20 0.37
THRB P10828 4/20 0.37
ALOX5 P09917 3/20 0.36
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TTR P02766 1/20 0.34
GPR35 Q9HC97 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGES O14684 1/20 0.34
TOP2A P11388 1/20 0.34
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5678562 0.84 ALOX5 (0.43) ALOX5PTGESTOP2APTPN1PPARG
SCHEMBL5677895 0.84 ALOX5 (0.43) ALOX5PTGESTOP2APTPN1PPARG
SCHEMBL5920566 0.84 ALOX5 (0.43) ALOX5PTGESTOP2APTPN1PPARG
SCHEMBL5680436 0.84 ALOX5 (0.37) ALOX5HTTNPC1HPGDMAPK1
SCHEMBL5587707 0.83 ALOX5 (0.36) ESR1ALOX5HTTNPC1HPGD
SCHEMBL5676382 0.83 MAOA (0.38) ESR1ALOX5HTTNPC1HPGD
SCHEMBL5587036 0.83 AKR1C2 (0.38) ESR1ALOX5HTTNPC1HPGD
SCHEMBL5677012 0.83 ALOX5 (0.38) ALOX5PTGESTOP2APPARGPPARD
SCHEMBL5677054 0.83 NPC1 (0.37) ESR1ALOX5HTTNPC1HPGD
SCHEMBL5680719 0.83 ALOX5 (0.44) ALOX5PTGESTOP2APTPN1PPARG

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-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

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 1108/4885THRA 3787/4885THRB 3757/4885

“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.