SCHEMBL9614229

SCHEMBL9614229

CCOC1COC(c2ccccc2)OC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 1/20 0.44
HCRTR2 O43614 1/20 0.42
TSHR P16473 2/20 0.41
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNA4 P22459 1/20 0.35
KCNA1 Q09470 1/20 0.35
KCNAB1 Q14722 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL2361796 0.86 MEN1 (0.42) MEN1KMT2ACYP2C19HCRTR2TSHR
SCHEMBL18612429 0.83 MEN1 (0.40) MEN1KMT2ACYP2C19HCRTR2TSHR
SCHEMBL10366156 0.83 MEN1 (0.42) MEN1KMT2ACYP2C19HCRTR2TSHR
SCHEMBL9972152 0.81 MEN1 (0.41) MEN1KMT2ACYP2C19HCRTR2TSHR
SCHEMBL2216976 0.81 PPARG (0.40) MEN1KMT2ACYP2C19HCRTR2TSHR
SCHEMBL2219048 0.81 PPARG (0.40) MEN1KMT2ACYP2C19HCRTR2TSHR
SCHEMBL2215031 0.81 PPARG (0.40) MEN1KMT2ACYP2C19HCRTR2TSHR
SCHEMBL7799158 0.81 PPARG (0.40) MEN1KMT2ACYP2C19HCRTR2TSHR
SCHEMBL11663818 0.81 PPARG (0.40) MEN1KMT2ACYP2C19HCRTR2TSHR
SCHEMBL10411981 0.81 TDP1 (0.49) MEN1KMT2ACYP2C19HCRTR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 US disclosed
US-20190202855-A1 POLYNUCLEOTIDE CONSTRUCTS SIRIUS THERAPEUTICS, INC. 2019-07-04 US disclosed
US-7989555-B2 Glycerol derivatives and methods of making same GLOBAL AGRITECH, INC. (US) 2011-08-02 US disclosed
US-7989555-B2 Glycerol derivatives and methods of making same GLOBAL AGRITECH, INC. (US) 2011-08-02 US disclosed
WO-2008147671-A2 GLYCEROL DERIVATIVES AND METHODS OF MAKING SAME GLOBAL AGRITECH INC (US) 2008-12-04 WO disclosed
US-20080293602-A1 GLYCEROL DERIVATIVES AND METHODS OF MAKING SAME GLOBAL AGRITECH, INC. 2008-11-27 US disclosed
US-20080293602-A1 GLYCEROL DERIVATIVES AND METHODS OF MAKING SAME GLOBAL AGRITECH, INC. 2008-11-27 US disclosed
US-5116992-A Antitumor SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1992-05-26 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 (3 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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 MEN1 518/4885KMT2A 3097/4885CYP2C19 94/4885
US-20080293602-A1 GLYCEROL DERIVATIVES AND METHODS OF MAKING SAME GK, HSD17B3, CYP17A1 MEN1 1278/4885KMT2A 2252/4885CYP2C19 368/4885
US-20190202855-A1 POLYNUCLEOTIDE CONSTRUCTS PHAX, CPSF6, RNGTT MEN1 4565/4885KMT2A 3891/4885CYP2C19 4871/4885

“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.