SCHEMBL6287047

SCHEMBL6287047

CCCCCCCCOC(=O)C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
BLM P54132 2/20 0.44
ATM Q13315 2/20 0.44
HIF1A Q16665 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
GMNN O75496 1/20 0.43

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
SCHEMBL675594 1.00 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11311947 1.00 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4592118 0.94 ESR1 (0.40) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8015097 0.94 ESR1 (0.42) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4592121 0.90 ESR1 (0.38) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8155139 0.90 ESR1 (0.39) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4594389 0.88 KMT2A (0.41) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1133123 0.88 KMT2A (0.41) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8957720 0.86 ESR1 (0.42) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11852157 0.85 ESR1 (0.42) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864381-B2 Process for preparing acyloxybenzenesulfonates CLARIANT GMBH (DE) 2005-03-08 US disclosed
US-20040198995-A1 Process for preparing acyloxybenzenesulfonates CLARIANT GMBH 2004-10-07 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-20040198995-A1 Process for preparing acyloxybenzenesulfonates TST, TYR, ACMSD ESR1 2197/4885AKR1C4 1350/4885AKR1C3 1723/4885

“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.