SCHEMBL9968852

SCHEMBL9968852

O=C1CC(Cc2ccc(O)cc2O)C(=O)N1C1CCC(N2C(=O)CC(Cc3ccc(O)cc3O)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
TYR P14679 3/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
CA3 P07451 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
CYP26A1 O43174 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL9969787 0.90 ALDH1A1 (0.45) ALDH1A1MCOLN3TYRTOP2ATOP2B
SCHEMBL9968853 0.88 ALDH1A1 (0.42) ALDH1A1MCOLN3TYRTOP2ATOP2B
SCHEMBL9937375 0.82 TYR (0.41) TYRCA3ALOX5
SCHEMBL15341257 0.81 TYR (0.40) ALDH1A1TYRCA3ALOX5
SCHEMBL9968948 0.81 TYR (0.40) TYRCA3ALOX5
SCHEMBL9968851 0.81 ALDH1A1 (0.41) ALDH1A1TYRCA3
SCHEMBL9938037 0.81 TYR (0.40) TYRCA3ALOX5
SCHEMBL9937017 0.80 ALDH1A1 (0.36) ALDH1A1MCOLN3TYRESR1ESR2
SCHEMBL9937617 0.80 L3MBTL1 (0.49) ALDH1A1ALOX5
SCHEMBL9937196 0.79 CA12 (0.37) ALDH1A1TYRCA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937187-B2 Method for depigmenting keratin materials using resorcinol derivatives L'OREAL (FR) 2015-01-20 US claimed
US-20130281507-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'OREAL (FR) 2013-10-24 US claimed
EP-2651886-B1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES ORÉAL L (FR) 2015-03-04 EP disclosed
US-8937187-B2 Method for depigmenting keratin materials using resorcinol derivatives L'OREAL (FR) 2015-01-20 US disclosed
US-8937187-B2 Method for depigmenting keratin materials using resorcinol derivatives L'OREAL (FR) 2015-01-20 US disclosed
US-8937187-B2 Method for depigmenting keratin materials using resorcinol derivatives L'OREAL (FR) 2015-01-20 US disclosed
US-20130281507-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'OREAL (FR) 2013-10-24 US disclosed
US-20130281507-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'OREAL (FR) 2013-10-24 US disclosed
US-20130281507-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'OREAL (FR) 2013-10-24 US disclosed
WO-2012079938-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'OREAL (FR) 2012-06-21 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-20130281507-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES KRT18, KLHL20, IK ALDH1A1 222/4885MCOLN3 451/4885TYR 9/4885

“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.