SCHEMBL6314161

SCHEMBL6314161

CCCCC([C]=O)([C]=O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.45
NR5A1 Q13285 1/20 0.45
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
GAA P10253 2/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
CYP2C19 P33261 6/20 0.36
CYP2C9 P11712 5/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
HSPA5 P11021 2/20 0.36
HIF1A Q16665 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 3/20 0.33
KMT2A Q03164 3/20 0.33

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
SCHEMBL2139591 0.81 ALDH1A1 (0.49) NR5A2NR5A1ALDH1A1MAPK1NPSR1
SCHEMBL1719554 0.79 NR5A2 (0.48) NR5A2NR5A1ALDH1A1MAPK1NPSR1
SCHEMBL235651 0.75 NR5A2 (0.51) NR5A2NR5A1ALDH1A1MAPK1NPSR1
SCHEMBL28258344 0.75 NR5A2 (0.43) NR5A2NR5A1ALDH1A1MAPK1NPSR1
SCHEMBL8028498 0.75 HSPA5 (0.55) NR5A2NR5A1ALDH1A1MAPK1NPSR1
SCHEMBL29404283 0.75 HSPA5 (0.55) NR5A2NR5A1ALDH1A1MAPK1NPSR1
SCHEMBL7966200 0.74 NR5A2 (0.50) NR5A2NR5A1ALDH1A1MAPK1NPSR1
SCHEMBL17500076 0.73 ALDH1A1 (0.48) NR5A2NR5A1ALDH1A1MAPK1NPSR1
SCHEMBL11312390 0.73 NR5A2 (0.49) NR5A2NR5A1ALDH1A1MAPK1NPSR1
SCHEMBL30800914 0.73 NR5A2 (0.49) NR5A2NR5A1ALDH1A1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050131177-A1 1-Alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators KRAMER ANDREAS (SE) 2005-06-16 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-20050131177-A1 1-Alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators PYM1, PTGER1, CBR1 NR5A2 3391/4885NR5A1 3117/4885ALDH1A1 638/4885

“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.