SCHEMBL473862

SCHEMBL473862

C=CCC(CC)C(O)CC(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 6/20 0.34
TRPA1 O75762 1/20 0.34
TSHR P16473 4/20 0.33
CYP3A4 P08684 3/20 0.33
ALOX15 P16050 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 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
SCHEMBL19029599 0.82 CYP2D6 (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19052661 0.80 METAP2 (0.34) ALDH1A1ALOX15TDP1
SCHEMBL19029656 0.80 CYP2D6 (0.38) GAAALDH1A1KMT2A
SCHEMBL19029407 0.80 CYP2D6 (0.35) ALDH1A1KMT2A
SCHEMBL19029592 0.79 ALDH1A1 (0.39) GAAALDH1A1KMT2A
SCHEMBL473765 0.79 SLC22A6 (0.34)
SCHEMBL28172951 0.79 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12925787 0.79 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19052807 0.77 UGT2B7 (0.33) ALDH1A1
SCHEMBL16558808 0.75 MGAM (0.55) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036472-A Photocatalysis preparation method of milbelin intermediate 山东新时代药业有限公司 2026-05-15 CN disclosed
CN-118726496-A Enzymatic preparation method of milbelin intermediate 尚科生物医药(上海)有限公司 2024-10-01 CN disclosed
EP-2719677-B1 METHOD FOR PRODUCING BICYCLIC COMPOUND VIA CLAISEN REARRANGEMENT DAIICHI SANKYO CO LTD (JP) 2017-09-06 EP disclosed
EP-2412700-B1 METHOD FOR PRODUCING BICYCLIC GAMMA-AMINO ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-11-09 EP disclosed
US-9206104-B2 Methods for producing bicyclic compounds via iminium salt DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-08 US disclosed
US-9162971-B2 Methods for producing bicyclic compounds via claisen rearrangements DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-20 US disclosed
EP-2657219-B1 Intermediate for producing bicyclic y-amino acid derivative DAIICHI SANKYO CO LTD (JP) 2014-12-10 EP disclosed
EP-2719676-A1 METHOD FOR PRODUCING BICYCLIC COMPOUND VIA IMINIUM SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-04-16 EP disclosed
EP-2719677-A1 METHOD FOR PRODUCING BICYCLIC COMPOUND VIA CLAISEN REARRANGEMENT DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-04-16 EP disclosed
EP-2657219-A1 Intermediate for producing bicyclic y-amino acid derivative Daiichi Sankyo Company, Limited (JP) 2013-10-30 EP disclosed
EP-2192109-B1 BICYCLIC -AMINO ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-09-04 EP disclosed
US-8324425-B2 Method for producing bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-04 US disclosed
US-20120071685-A1 METHOD FOR PRODUCING BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2412700-A1 METHOD FOR PRODUCING BICYCLIC GAMMA-AMINO ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-02-01 EP disclosed
US-7947738-B2 Bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LTD. (JP) 2011-05-24 US disclosed
US-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LTD. (JP) 2010-09-30 US disclosed
EP-2192109-A1 BICYCLIC -AMINO ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-06-02 EP 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 (2 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-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE GLRA2, GLRB, BCAT1 GAA 3064/4885MGAM 4020/4885SI 4276/4885
US-20120071685-A1 METHOD FOR PRODUCING BICYCLIC gamma-AMINO ACID DERIVATIVE ADRA2A, GABRB2, ADRB2 GAA 1160/4885MGAM 2495/4885SI 1330/4885

“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.