SCHEMBL5809076

SCHEMBL5809076

CCCOC(=O)CN(C(C)=O)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
CHRM1 P11229 1/20 0.49
SLC6A2 P23975 1/20 0.49
KDR P35968 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MIF P14174 1/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 2/20 0.39
LTA4H P09960 2/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37

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
SCHEMBL3662801 0.88 CA12 (0.47) ESR1ALDH1A1TSHRTDP1MIF
SCHEMBL5808788 0.86 LMNA (0.47) ALDH1A1TSHRLMNACYP2C19SMN1; SMN2
SCHEMBL6908413 0.84 LMNA (0.40) ESR1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5813341 0.81 MLYCD (0.45) ESR1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL6469158 0.80 ESR1 (0.36) ESR1ALDH1A1LMNASMN1; SMN2ESR2
SCHEMBL11045012 0.78 TSHR (0.47) ALDH1A1TSHRTDP1LMNAMAPK1
SCHEMBL5810849 0.77 CA12 (0.45) ESR1ALDH1A1TSHRMIFESR2
SCHEMBL4036462 0.76 SMN1; SMN2 (0.49) ALDH1A1TDP1SMN1; SMN2CA12CA1
SCHEMBL935744 0.75 MLYCD (0.41) ESR1ALDH1A1ESR2CA2
SCHEMBL6904257 0.75 KMT2A (0.46) ESR1ALDH1A1TSHRTDP1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US 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
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed
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 ESR1 3961/4885ALDH1A1 1110/4885TSHR 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.