SCHEMBL8559873

SCHEMBL8559873

CN(CC(=O)c1ccc(O)c(O)c1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
AKR1B10 O60218 1/20 0.45
TTR P02766 1/20 0.45
AKR1B1 P15121 1/20 0.45
LMNA P02545 2/20 0.44
SRC P12931 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL10603957 0.88 EGFR (0.53) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL10601747 0.88 EGFR (0.65) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL9696260 0.87 ESR1 (0.46) ALDH1A1HPGDMAPTESR1ESR2
SCHEMBL9696028 0.84 EGFR (0.42) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL7515538 0.83 ALDH1A1 (0.47) EGFRALDH1A1HPGDMAPTESR1
SCHEMBL21480766 0.82 HPGD (0.57) EGFRALDH1A1HPGDMAPTSRC
SCHEMBL9696955 0.82 MAPT (0.44) EGFRALDH1A1HPGDMAPTESR1
SCHEMBL10604706 0.81 EGFR (0.57) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL10793003 0.81 EGFR (0.47) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL10603961 0.81 EGFR (0.46) EGFRHPGDLMNASRCCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210061757-A1 PROCESS FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS OLON SPA (IT) 2021-03-04 US disclosed
WO-2019198023-A1 PROCESS FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS OLON S.P.A. (IT) 2019-10-17 WO disclosed
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed
US-5144059-A CATECHOLAMINE ESTERS SIMES SOCIETA ITALIANA MEDICINALI E. SINTETICI S.A. (IT) 1992-09-01 US disclosed
EP-0167204-B1 METHOD FOR IMPROVING THE ABSORPTION AND EFFECTIVENESS OF A CATECHOLAMINE COMPOUND SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) 1989-09-27 EP disclosed
US-4673671-A CONVERSION TO MONO O-PHOSPHATE ESTER SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1987-06-16 US disclosed
EP-0167204-A1 Method for improving the absorption and effectiveness of a catecholamine compound SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) 1986-01-08 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 (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-20210061757-A1 PROCESS FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS ADH1C, ADH1A, ADH5 EGFR 4141/4885ALDH1A1 35/4885HPGD 276/4885

“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.