SCHEMBL6906900

SCHEMBL6906900

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
OPRM1 P35372 1/20 0.40
MLYCD O95822 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 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
SCHEMBL6907879 0.89 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRLMNAHPGD
SCHEMBL6903155 0.85 LMNA (0.45) ALDH1A1CYP3A4TSHRLMNAMLYCD
SCHEMBL6907477 0.84 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRPTGDR2HSD17B1
SCHEMBL6901524 0.83 MLYCD (0.50) ALDH1A1TSHROPRM1MLYCD
SCHEMBL6907366 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHROPRM1PTGDR2
SCHEMBL6908386 0.82 MLYCD (0.43) ALDH1A1TSHROPRM1MLYCDKDM4E
SCHEMBL6904457 0.81 LMNA (0.43) ALDH1A1CYP3A4TSHRLMNAPTGDR2
SCHEMBL9163174 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRLMNAHSD17B1
SCHEMBL6909975 0.79 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRLMNAHSD17B1
SCHEMBL6908331 0.77 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRLMNAHSD17B1

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.