SCHEMBL13645980

SCHEMBL13645980

COC(=O)c1ccc(N(C)C(=O)CCC(=O)N(C)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.61
ALDH1A1 P00352 4/20 0.54
TSHR P16473 3/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 3/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.49

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
SCHEMBL6932477 0.88 NOTUM (0.59) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL1244024 0.86 NOTUM (0.62) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL2636334 0.86 NOTUM (0.58) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL7140538 0.86 NOTUM (0.58) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL2831110 0.85 MLYCD (0.57) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL7137753 0.85 NOTUM (0.56) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL23063887 0.83 NOTUM (0.55) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL9096918 0.81 NOTUM (0.65) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL9136121 0.80 NOTUM (0.63) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL6011752 0.79 NOTUM (0.61) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601180-B2 Use for the dyeing with lightening effect of keratin substances of a composition comprising a fluorescent cyanine dye L'OREAL S.A. (FR) 2009-10-13 US disclosed
US-7601180-B2 Use for the dyeing with lightening effect of keratin substances of a composition comprising a fluorescent cyanine dye L'OREAL S.A. (FR) 2009-10-13 US disclosed
US-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'OREAL S.A. (FR) 2009-02-26 US disclosed
US-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'OREAL S.A. (FR) 2009-02-26 US disclosed
EP-2018848-A2 Hair composition comprising at least one fluorescent dye and at least one alkali hydroxide agent and method of simultaneous styling, dyeing and/or lightening. L'Oreal (FR) 2009-01-28 EP 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-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE KRT18, S100A4, S100P NOTUM 2961/4885ALDH1A1 1895/4885TSHR 3685/4885

“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.