SCHEMBL5588583

SCHEMBL5588583

Cc1c(O)c(O)c(C)c2c1Oc1cccc(Cl)c1O2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.58
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
MAP3K14 Q99558 1/20 0.31
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
SMAD3 P84022 1/20 0.30

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
SCHEMBL6254624 0.87 AHR (0.64) AHRALDH1A1TSHRCYP3A4MAPT
SCHEMBL5588344 0.81 AHR (0.62) AHRALDH1A1TSHRSMAD3
SCHEMBL5588609 0.81 ALDH1A1 (0.43) AHRPTGS2ALDH1A1TSHRHPGD
Ethane SCHEMBL28414050 0.80 AHR (0.78) AHRALDH1A1TSHRMEN1KMT2A
SCHEMBL9579668 0.80
SCHEMBL5588324 0.79 AHR (0.55) AHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL5590709 0.79 PTGS2 (0.38) AHRPTGS2ALDH1A1
SCHEMBL5590092 0.78 AHR (0.44) AHRPTGS2ALDH1A1KDM4E
SCHEMBL5588673 0.78 AHR (0.53) AHR
SCHEMBL5587386 0.77 AHR (0.47) AHRALDH1A1HPGDKDM4EHSD17B10

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 AHR 1434/4885PTGS2 3242/4885ALDH1A1 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.