SCHEMBL4340802

SCHEMBL4340802

COc1ccc(C[O])c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
KDM4E B2RXH2 6/20 0.47
TSHR P16473 1/20 0.47
APOBEC3A P31941 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL30883 0.84 AOC3 (0.55) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL7630871 0.83 AOC3 (0.53) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL8910900 0.82 AOC3 (0.56) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL95872 0.81 CA12 (0.53) SMN1; SMN2POLBCYP1A2KDM4ETSHR
SCHEMBL23931092 0.78 AOC3 (0.53) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL4678057 0.78 AOC3 (0.53) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL1340134 0.78 AOC3 (0.53) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL165313 0.78 AOC3 (0.58) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL2338539 0.78 AOC3 (0.53) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL775238 0.78 AOC3 (0.53) AOC3SMN1; SMN2POLBCYP1A2CHRM2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3187838-B2 2001-07-16 JP claimed
EP-0737195-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-10-16 EP claimed
US-5541183-A RESPIRATORY SYSTEM DISORDERS, SKIN DISORDERS AND PLATELET ACTIVATING FACTOR ANTAGONIST SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-07-30 US claimed
WO-1995018131-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-07-06 WO claimed
US-20090036659-A1 METHOD OF DEUTERATING BENZYL-POSITION IN -O-BENZYL GROUP WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1992605-A1 METHOD OF DEUTERIZING BENZYL-POSITION IN -O-BENZYL GROUP Wako Pure Chemical Industries, Ltd. (JP) 2008-11-19 EP disclosed
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-7247714-B2 Protection against oxidative stress and inflammation by a cytoprotective response element ATHEROGENICS, INC. (US) 2007-07-24 US disclosed
US-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders MENG CHARLES Q 2006-11-16 US disclosed
US-7078431-B2 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders ATHEROGENICS, INC. (US) 2006-07-18 US disclosed
US-6608101-B1 Inflammatory disorders; 3-(2,4-dimethoxy-5-(thien-2-yl)phenyl)-1-(4-carboxymethoxy-3,5 -dimethoxyphenyl)-2-propen-1-one; ATHEROGENICS, INC. 2003-08-19 US disclosed
US-4537720-A N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamino)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1985-08-27 US disclosed
US-4477660-A 7-(S)-Acylaminocephalosporin sulfones and process ELI LILLY AND COMPANY (US) 1984-10-16 US disclosed
US-4474879-A Process for 3-hydroxymethyl cephalosporin sulfones ELI LILLY AND COMPANY (US) 1984-10-02 US disclosed
US-4459405-A Desacetylcephalosporin sulfones ELI LILLY AND COMPANY (US) 1984-07-10 US disclosed
EP-0109816-A1 N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
EP-0109301-A2 7-(S)-acylaminocephalosporin sulfones and process ELI LILLY AND COMPANY (US) 1984-05-23 EP disclosed
EP-0109300-A2 Desacetylcephalosporin sulfones ELI LILLY AND COMPANY (US) 1984-05-23 EP disclosed
US-4436596-A N-Substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1984-03-13 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-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 AOC3 105/4885SMN1; SMN2 1770/4885POLB 2716/4885
US-20090036659-A1 METHOD OF DEUTERATING BENZYL-POSITION IN -O-BENZYL GROUP DBH, BRD4, BRD3 AOC3 185/4885SMN1; SMN2 3340/4885POLB 203/4885
US-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders VCAM1, ICAM1, ITGB1 AOC3 1968/4885SMN1; SMN2 2256/4885POLB 1739/4885

“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.