SCHEMBL14174367

SCHEMBL14174367

C=C1[C@@H](CC(=O)OCC)C[C@H]2C[C@@H]1C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.33
MIF P14174 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
ATM Q13315 1/20 0.30
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3711207 0.87 HSD17B1 (0.36) HSD17B1ALOX15KMT2AL3MBTL1MGAM
SCHEMBL8190881 0.86 ALOX15 (0.34) ALOX15KMT2AL3MBTL1MGAMGAA
SCHEMBL14515015 0.81 HSD17B1 (0.32) HSD17B1ALOX15KMT2AL3MBTL1MGAM
SCHEMBL14462522 0.81 HSD17B1 (0.32) HSD17B1ALOX15KMT2AL3MBTL1MGAM
SCHEMBL14421889 0.80 HSD17B1 (0.32) HSD17B1ALOX15KMT2AL3MBTL1EPHX2
SCHEMBL14174366 0.79 HSD17B1 (0.31) HSD17B1
SCHEMBL10922489 0.72 TSHR (0.31) TSHR
SCHEMBL9416064 0.72 BRD4 (0.36) MIFGAAHSD17B10ALDH1A1
SCHEMBL3705538 0.70 MGAM (0.39) ALOX15KMT2AL3MBTL1MGAMGAA
SCHEMBL3705541 0.70 MGAM (0.39) ALOX15KMT2AL3MBTL1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390926-B2 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 ZACH SYSTEM (IT) 2008-06-24 US disclosed
US-20070225516-A1 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 PPG-SIPSY (FR) 2007-09-27 US disclosed
US-20070225516-A1 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 PPG-SIPSY (FR) 2007-09-27 US disclosed
EP-1808427-A2 Novel processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-07-18 EP disclosed
US-7214832-B2 Processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-05-08 US disclosed
US-7214832-B2 Processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-05-08 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-20070225516-A1 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 NOP2, NOP10, NOP56 HSD17B1 211/4885MIF 4783/4885ALOX15 500/4885

“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.