SCHEMBL7250882

SCHEMBL7250882

COc1cc(NC(=O)OC(C)C)c(O)cc1NCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
EGFR P00533 2/20 0.36
KDR P35968 2/20 0.36
KDM4E B2RXH2 3/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAOB P27338 1/20 0.35
TSHR P16473 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL7251136 0.88 HTT (0.42) HPGDSMN1; SMN2KDM4EGLAALDH1A1
SCHEMBL7256642 0.88 MAPK1 (0.43) SMN1; SMN2NPC1CYP1A2CYP2C19RAB9A
SCHEMBL7254543 0.84 RECQL (0.47) HPGDSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7256864 0.84 L3MBTL1 (0.46) KDM4EGLAALDH1A1LMNANPSR1
SCHEMBL7250888 0.84 SMN1; SMN2 (0.44) HPGDSMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL4667225 0.83 TSHR (0.39) SMN1; SMN2KDM4EGLAALDH1A1LMNA
SCHEMBL7251829 0.83 HPGD (0.43) HPGDSMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL4667405 0.82 TAS1R3 (0.41) KDM4EGLAALDH1A1LMNAMAPT
SCHEMBL4669924 0.82 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4EGLA
SCHEMBL4668106 0.81 ALDH1A1 (0.43) CYP1A2CYP2C19KDM4EGLAALDH1A1

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 405/4885SMN1; SMN2 4369/4885NPC1 4448/4885
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 168/4885SMN1; SMN2 4375/4885NPC1 4742/4885

“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.