SCHEMBL6907862

SCHEMBL6907862

CC(=O)N(CC(=O)O)c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
TSPO P30536 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL5088886 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHSD17B1HSD17B2
SCHEMBL6907477 0.84 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRHSD17B1HSD17B2
SCHEMBL6903155 0.83 LMNA (0.45) ALDH1A1CYP3A4TSHRHSD17B1HSD17B2
SCHEMBL690247 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTSPO
SCHEMBL4629417 0.81 PARP1 (0.43) ALDH1A1CYP3A4TSHRHSD17B1HSD17B2
SCHEMBL11503381 0.81 ADRA2C (0.49) ALDH1A1CYP3A4TSHRHSD17B1HSD17B2
SCHEMBL11503414 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHR
Ammonia Solution, Strong SCHEMBL10539922 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTSPO
SCHEMBL10536986 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTSPO
SCHEMBL6908331 0.80 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US disclosed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP disclosed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US disclosed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO 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-20030108496-A1 Compositions comprising phenyl-glycine derivatives GRHPR, ARL1, SUCLG1 ALDH1A1 1110/4885CYP3A4 4050/4885TSHR 3740/4885

“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.