SCHEMBL3820564

SCHEMBL3820564

CC(C)(C)CC(C)(C)c1cc(Sc2cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c2O)c(O)c(C(C)(C)CC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.43
CYP3A4 P08684 5/20 0.38
HIF1A Q16665 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
IDH1 O75874 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL767213 0.85 SHBG (0.52) SHBGCYP3A4HIF1AALDH1A1ALOX15
SCHEMBL3821355 0.83 SMN1; SMN2 (0.42) SHBGCYP3A4HIF1AALDH1A1ALOX15
SCHEMBL18916278 0.81 MAPK1 (0.35) CYP3A4HIF1AALDH1A1ALOX15CYP2C9
SCHEMBL30789014 0.81 MAPK1 (0.35) CYP3A4HIF1AALDH1A1ALOX15CYP2C9
SCHEMBL11806573 0.80 CA2 (0.48) SHBGCYP3A4HIF1AALDH1A1ALOX15
SCHEMBL8990196 0.80 SHBG (0.47) SHBGCYP3A4HIF1AALDH1A1ALOX15
SCHEMBL6015498 0.80 CYP3A4 (0.51) SHBGCYP3A4HIF1AALDH1A1ALOX15
SCHEMBL11796001 0.79 CA1 (0.47) SHBGCYP3A4HIF1AALDH1A1ALOX15
SCHEMBL11800941 0.79 SHBG (0.46) SHBGCYP3A4HIF1AALDH1A1ALOX15
SCHEMBL10885989 0.78 SHBG (0.48) SHBGCYP3A4HIF1AALDH1A1ALOX15

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 SHBG 1135/4885CYP3A4 247/4885HIF1A 1935/4885

“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.