SCHEMBL1504155

SCHEMBL1504155

CCOC(=O)CC(O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
AOC3 Q16853 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
PPARA Q07869 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL30935351 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EHTTAOC3L3MBTL1
SCHEMBL4497426 0.85 KMT2A (0.49) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL10908208 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EHTTL3MBTL1MAPT
SCHEMBL4497421 0.85 KMT2A (0.49) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL8771122 0.84 SLC6A3 (0.49) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL1508097 0.83 PPARA (0.40) ALDH1A1MAPTABCB11CYP1A2CYP3A4
SCHEMBL13572974 0.83 FFAR1 (0.48) ALDH1A1KDM4EHTTL3MBTL1MAPT
SCHEMBL20028731 0.83 MAPT (0.47) ALDH1A1KDM4EHTTAOC3MAPT
SCHEMBL13572925 0.83 FFAR1 (0.48) ALDH1A1KDM4EHTTL3MBTL1MAPT
SCHEMBL4764216 0.83 MAPT (0.47) ALDH1A1KDM4EHTTMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021031246-A1 METHOD FOR PREPARING CHIRAL β-HYDROXYLCARBOXYLATE COMPOUND 上海欣海国际贸易有限公司 2021-02-25 WO disclosed
WO-2020215357-A1 METHOD FOR PREPARING CHIRAL β-HYDROXYCARBOXYLATE COMPOUND 呼延旺 2020-10-29 WO disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
CN-1826333-B Diamine derivatives DAIICHI SANKYO CO LTD 2012-12-26 CN disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
EP-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 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 (4 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-20050020645-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885KDM4E 3971/4885HTT 2635/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885KDM4E 3971/4885HTT 2635/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885KDM4E 3971/4885HTT 2635/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ALDH1A1 3734/4885KDM4E 3759/4885HTT 2126/4885

“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.