SCHEMBL22036029

SCHEMBL22036029

CC(COC(=O)C1CC=CCC1)OC(=O)C1CC=CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.37
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7904270 0.94 MIF (0.34) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL4757626 0.89 MIF (0.40) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL7694728 0.84 MIF (0.39) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL13265129 0.84 MIF (0.39) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL25988750 0.83 MIF (0.38) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL4755288 0.80 MIF (0.42) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL25822175 0.79 MIF (0.32) MIF
SCHEMBL12251472 0.78 MIF (0.40) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL13649840 0.78 MIF (0.40) MIFALDH1A1MEN1MAPTALOX15
SCHEMBL472121 0.77 MAPT (0.44) MIFALDH1A1MEN1MAPTALOX15

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-20200165218-A1 METHODS FOR MAKING CYCLOHEXENE OXIDE-CONTAINING ESTERS ARKEMA INC. 2020-05-28 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-20200165218-A1 METHODS FOR MAKING CYCLOHEXENE OXIDE-CONTAINING ESTERS CBR1, ADH1A, AOX1 MIF 3027/4885ALDH1A1 93/4885MEN1 4633/4885

“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.