SCHEMBL5393545

SCHEMBL5393545

C[C@]12CCC(=O)C=C1C[C@@H](C(=O)C=O)[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.41
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AR P10275 5/20 0.37
PGR P06401 2/20 0.36
LMNA P02545 2/20 0.36
PDE4D Q08499 1/20 0.36
CYP19A1 P11511 3/20 0.36
NR3C2 P08235 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SHBG P04278 1/20 0.32
SERPINA6 P08185 1/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 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
SCHEMBL4818715 1.00 NR3C1 (0.41) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4815685 1.00 NR3C1 (0.41) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4818843 0.91 NR3C1 (0.43) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4818856 0.91 NR3C1 (0.43) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4819437 0.91 NR3C1 (0.41) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4814927 0.91 NR3C1 (0.41) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4255031 0.89 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4822515 0.89 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4982043 0.89 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4981552 0.89 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR

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-7235655-B2 Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol PHARMACIA & UPJOHN COMPANY (US) 2007-06-26 US disclosed
US-20030232981-A1 Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol PHARMACIA & UPJOHN COMPANY 2003-12-18 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-20030232981-A1 Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol NR3C2, HSD3B2, HSD11B2 NR3C1 19/4885TDP1 4733/4885MEN1 664/4885

“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.