SCHEMBL4867542

SCHEMBL4867542

OC1CNc2ccccc2O1.Oc1ccc2c(c1)NCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
NISCH Q9Y2I1 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
BRD4 O60885 1/20 0.36
PRKCI P41743 1/20 0.35
HPGD P15428 2/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
PFKFB3 Q16875 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
GRM5 P41594 1/20 0.32
SLC5A2 P31639 1/20 0.32
FABP6 P51161 1/20 0.32
ESR2 Q92731 1/20 0.32
PTGER3 P43115 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL33867 0.80 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL29355887 0.80 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B
Bromide SCHEMBL303149 0.78 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTPDE3B
Hydrochloric Acid SCHEMBL31327837 0.78 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL9796104 0.78 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTPDE3B
Hydrochloric Acid SCHEMBL31200757 0.78 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTPDE3B
Bromide SCHEMBL31327838 0.78 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL214287 0.78 NISCH (0.49) ALDH1A1GAAMAPTNISCHBRD4
SCHEMBL3309120 0.74 BRD4 (0.45) ALDH1A1HSD17B10MAPTBRD4DRD2
SCHEMBL2746377 0.73 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10MAPTPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7431742-B2 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-10-07 US disclosed
US-20070251025-A1 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY 2007-11-01 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 (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-20070251025-A1 Hair coloring kits and methods of use thereof COXFA4L2, SQOR, GPX4 ALDH1A1 175/4885GAA 3681/4885HSD17B10 210/4885

“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.