SCHEMBL930984

SCHEMBL930984

COc1ccc([C@H](O)CCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.59
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SLC5A2 P31639 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
IGF1R P08069 1/20 0.43
ACP3 P15309 1/20 0.42

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
SCHEMBL2311681 1.00 AOC3 (0.59) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL316182 1.00 AOC3 (0.59) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL3918376 0.84 GAA (0.56) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL3918374 0.84 GAA (0.56) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL327629 0.83 AOC3 (0.63) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL30949075 0.82 GAA (0.55) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL30949068 0.82 GAA (0.55) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL4372787 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL615718 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAAL3MBTL1
SCHEMBL2517919 0.81 AOC3 (0.61) AOC3ALDH1A1MAPTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257593-A1 CHIRAL MULTIDENTATE LIGAND AND USE THEREOF IN ASYMMETRIC HYDROGENATION SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-10-11 EP disclosed
WO-2023077643-A1 CHIRAL MULTIDENTATE LIGAND AND USE THEREOF IN ASYMMETRIC HYDROGENATION 凯特立斯(深圳)科技有限公司 2023-05-11 WO disclosed
US-20230124576-A1 CHIRAL MULTIDENTATE LIGAND, AND APPLICATION THEREOF IN ASYMMETRIC HYDROGENATION SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2023-04-20 US disclosed
US-8846670-B2 1,2,3,4-tetrahydro-pyrimido(1,2-a)pyrimidin-6-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-30 US disclosed
EP-2448940-B1 6,7,8,9-tetrahydro-pyrimido{1,2-a} pyrimidin-4-one derivatives, their preparation and pharmaceutical use thereof SANOFI SA (FR) 2014-05-21 EP disclosed
US-20120208810-A1 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
EP-2448940-A2 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-05-09 EP disclosed
WO-2011001113-A2 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 WO disclosed
EP-1934159-B1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-03-25 EP disclosed
US-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-01-29 US disclosed
EP-1934159-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2008-06-25 EP disclosed
WO-2007036570-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 WO disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1031629-A2 Method of preparation of stereoisomeric carboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-08-30 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 (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-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS ADH5, ADH1C, ADH1A AOC3 725/4885ALDH1A1 76/4885MAPT 3024/4885
US-20230124576-A1 CHIRAL MULTIDENTATE LIGAND, AND APPLICATION THEREOF IN ASYMMETRIC HYDROGENATION H1-4, CHRM1, CHRM2 AOC3 3357/4885ALDH1A1 4339/4885MAPT 2479/4885
US-20120208810-A1 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF ALK, HAX1, HCLS1 AOC3 591/4885ALDH1A1 39/4885MAPT 2947/4885

“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.