SCHEMBL6909975

SCHEMBL6909975

COC(=O)CN(C=O)c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B1 P14061 4/20 0.38
HSD17B2 P37059 4/20 0.38
SPR P35270 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6905661 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRALOX15HSD17B1
SCHEMBL9163174 0.83 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRLMNAHSD17B1
SCHEMBL6901533 0.82 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1KDM4E
SCHEMBL6906601 0.81 CA12 (0.40) ALDH1A1CYP3A4TSHRALOX15HSP90AB1
SCHEMBL6901530 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRLMNAALOX15
SCHEMBL6906520 0.80 ALOX15 (0.47) ALDH1A1CYP3A4LMNAALOX15MTNR1A
SCHEMBL6906900 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRLMNAALOX15
SCHEMBL6903155 0.79 LMNA (0.45) ALDH1A1CYP3A4TSHRLMNAHSD17B1
SCHEMBL28472818 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRLMNAALOX15
SCHEMBL10425023 0.75 TP53 (0.43) ALDH1A1CYP3A4TSHRALOX15KDM4E

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.