SCHEMBL935744

SCHEMBL935744

CC(=O)N(CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.41
CA2 P00918 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL10537885 0.85 KEAP1 (0.51) ALDH1A1
SCHEMBL690247 0.84 ALDH1A1 (0.53) ALDH1A1
SCHEMBL179788 0.84 CA2 (0.43) MLYCDCA2CAMK2AALDH1A1ESR1
SCHEMBL6909286 0.83 CA2 (0.42) CA2ALDH1A1ESR1ESR2
SCHEMBL10538089 0.83 NPSR1 (0.46) MLYCDALDH1A1
SCHEMBL9800457 0.83 MLYCD (0.40) MLYCDALDH1A1
SCHEMBL14248561 0.83 ACHE (0.44) MLYCDALDH1A1
Ammonia Solution, Strong SCHEMBL10539922 0.82 ALDH1A1 (0.52) ALDH1A1
SCHEMBL10536986 0.82 ALDH1A1 (0.52) ALDH1A1
SCHEMBL6470863 0.81 ESR1 (0.41) MLYCDALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180203018-A1 METABOLIC BIOMARKERS OF CROHN'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-19 US claimed
US-20050171194-A1 Enlargement of mucocutaneous or cutaneous organs and sites with topical compositions YU RUEY J (US) 2005-08-04 US claimed
WO-2005055947-A2 ENLARGEMENT OF MUCOCUTANEOUS OR CUTANEOUS ORGANS AND SITES WITH TOPICAL COMPOSITIONS YU RUEY J (US) 2005-06-23 WO claimed
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US claimed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP claimed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US claimed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO claimed
US-20180203018-A1 METABOLIC BIOMARKERS OF CROHN'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-19 US disclosed
US-9364424-B2 Topical cosmetic skin lightening compositions and methods of use thereof STIEFEL LABORATORIES, INC. (US) 2016-06-14 US disclosed
US-20160074315-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. 2016-03-17 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120213772-A1 Metabolic biomarkers of Crohn's Disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-23 US disclosed
WO-2011009099-A1 METABOLIC BIOMARKERS OF CROHN'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 WO disclosed
WO-1992013823-A1 AMINOALCOHOLS USEFUL AS OPTICAL RESOLVING AGENTS LES LABORATOIRES BEECHAM S.A. (FR) 1992-08-20 WO disclosed
US-4439524-A Stereoselective resolution of phenylglycine derivatives with enzyme resins BAYER AKTIENGESELLSCHAFT (DE) 1984-03-27 US disclosed
EP-0022492-B1 STEREO SELECTIVE RESOLUTION OF PHENYLGLYCINE DERIVATIVES WITH ENZYMERESINS BAYER AG (DE) 1982-09-29 EP disclosed
US-4260684-A Stereoselective resolution of phenylglycine derivatives and 4-hydroxyphenylglycine derivatives with enzyme resins BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
EP-0022492-A1 Stereo selective resolution of phenylglycine derivatives with enzymeresins BAYER AG (DE) 1981-01-21 EP disclosed
EP-0003786-B1 STEREOSELECTIVE SEPARATION OF PHENYLGLYCINE DERIVATIVES AND 4-HYDROXYPHENYLGLYCINE DERIVATIVES WITH ENZYME-CONTAINING POLYMERS BAYER AG (DE) 1980-12-10 EP disclosed
EP-0003786-A1 Stereoselective separation of phenylglycine derivatives and 4-hydroxyphenylglycine derivatives with enzyme-containing polymers BAYER AG (DE) 1979-09-05 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-20030108496-A1 Compositions comprising phenyl-glycine derivatives GRHPR, ARL1, SUCLG1 MLYCD 1460/4885CA2 1324/4885CAMK2A 4348/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MLYCD 2552/4885CA2 2029/4885CAMK2A 4603/4885

“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.