SCHEMBL7251829

SCHEMBL7251829

CNc1cc(O)c(NC(=O)OC(C)C)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 2/20 0.39
KDR P35968 2/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 3/20 0.38
STING1 Q86WV6 2/20 0.38
ALOX15 P16050 1/20 0.38
KCNMA1 Q12791 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.37
MAOA P21397 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
SCHEMBL7251834 0.86 PKM (0.47) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7256416 0.83 HDAC1 (0.43) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL7250882 0.83 HPGD (0.39) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL7251605 0.81 HPGD (0.44) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL4668033 0.80 STING1 (0.44) SMN1; SMN2KDM4ESTING1KCNMA1ALDH1A1
SCHEMBL4668047 0.80 KMT2A (0.42) STING1ALDH1A1MAPTHTTTSHR
SCHEMBL7251017 0.80 RECQL (0.51) HPGDCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4669120 0.79 ALDH1A1 (0.42) HPGDSMN1; SMN2KDM4ESTING1KCNMA1
SCHEMBL4668891 0.79 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2KDM4ESTING1
SCHEMBL7257252 0.78 L3MBTL1 (0.48) STING1KCNMA1ALDH1A1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635091-B2 Oxidation color dye and coupler L'OREAL S. A. (FR) 2003-10-21 US claimed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US claimed
US-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods L'OREAL S.A. (FR) 2001-11-01 US claimed
US-6635091-B2 Oxidation color dye and coupler L'OREAL S. A. (FR) 2003-10-21 US disclosed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US disclosed
US-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods L'OREAL S.A. (FR) 2001-11-01 US 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 (2 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-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods KRT18, FH, FGB HPGD 405/4885NPC1 4448/4885CYP1A2 678/4885
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods FH, KRT18, CYB5R3 HPGD 168/4885NPC1 4742/4885CYP1A2 193/4885

“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.