SCHEMBL3821186

SCHEMBL3821186

CCCCCCCCCc1cc(C)cc(Sc2cc(C)cc(CCCCCCCCC)c2O)c1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.46
PTGS2 P35354 6/20 0.46
TYR P14679 2/20 0.46
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9746222 1.00 ALOX5 (0.46) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL9745932 1.00 ALOX5 (0.46) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL9745591 1.00 ALOX5 (0.46) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL4539436 0.93 HTT (0.43) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL7253715 0.86 HPGD (0.39) ALOX5CYP3A4MEN1TP53MAPT
SCHEMBL222792 0.86 TYR (0.55) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL38839 0.86 TYR (0.55) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL29135897 0.86 TYR (0.55) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL224251 0.86 TYR (0.55) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL224790 0.86 TYR (0.55) ALOX5PTGS2TYRCYP3A4MEN1

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
EP-1406726-B1 ORGANOALUMINIUM CATALYST, ITS PREPARATION AND ITS USE IN A PROCESS FOR THE POLYMERIZATION OF ALKYLENE OXIDES UNION CARBIDE CHEM PLASTIC (US) 2009-08-26 EP disclosed
US-7456127-B2 Organoaluminum catalyst UNION CARBIDE CHEMICALS AND PLASTICS TECHNOLOGY CORPORATION 2008-11-25 US disclosed
US-20040142814-A1 Organoaluminum catalyst UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2004-07-22 US disclosed
EP-1406726-A2 ORGANOALUMINIUM CATALYST, ITS PREPARATION AND ITS USE IN A PROCESS FOR THE POLYMERIZATION OF ALKYLENE OXIDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-04-14 EP disclosed
WO-2002098559-A2 ORGANOALUMINUM CATALYST, ITS PREPARATION AND ITS USE IN A PROCESS FOR THE POLYMERIZATION OF ALKYLENE OXIDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY COR PORATION (US) 2002-12-12 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-20040142814-A1 Organoaluminum catalyst AHR, LBR, NR1H3 ALOX5 169/4885PTGS2 3250/4885TYR 2289/4885

“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.