SCHEMBL6907436

SCHEMBL6907436

O=CNC(=O)CNc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 4/20 0.45
ERCC4 Q92889 4/20 0.45
CYP1A1 P04798 2/20 0.41
MGLL Q99685 1/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 4/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
PEPD P12955 1/20 0.38
CA12 O43570 1/20 0.38
BRD4 O60885 1/20 0.38
NR1I2 O75469 1/20 0.38
MB P02144 1/20 0.38
CA3 P07451 1/20 0.38
RARG P13631 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6907223 0.83 ERCC1 (0.54) ERCC1ERCC4MAPTGAAALDH1A1
SCHEMBL6901554 0.80 ALDH1A1 (0.45) ERCC1ERCC4MAPTGAAALDH1A1
SCHEMBL6907745 0.77 MAPT (0.47) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL8621971 0.77 ALDH1A1 (0.45) ERCC1ERCC4CYP1A1MGLLMAPT
SCHEMBL21747434 0.77 ALDH1A1 (0.50) ERCC1ERCC4CYP1A1MGLLMAPT
SCHEMBL6905877 0.74 MAPT (0.52) ERCC1ERCC4CYP1A1MGLLMAPT
SCHEMBL3660127 0.74 CA1 (0.44) ERCC1ERCC4CYP1A1MGLLMAPT
Hydrochloric Acid SCHEMBL11326485 0.74 CYP1A1 (0.52) ERCC1ERCC4CYP1A1MAPTGAA
SCHEMBL9745051 0.74 CYP1A1 (0.52) ERCC1ERCC4CYP1A1MAPTGAA
SCHEMBL22354 0.74 CYP1A1 (0.52) ERCC1ERCC4CYP1A1MAPTGAA

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 ERCC1 3009/4885ERCC4 2755/4885CYP1A1 1470/4885

“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.