SCHEMBL5620106

SCHEMBL5620106

CCC(NC(=O)O[C@H]1CC[C@H](c2ccc(O)cc2O)CC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.53
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
CCNE1 P24864 13/20 0.37
CDK2 P24941 13/20 0.37
GSK3B P49841 10/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL5620104 1.00 TYR (0.53) TYRITGB3ITGAVCCNE1CDK2
SCHEMBL7214900 0.85 TYR (0.54) TYRCCNE1CDK2GSK3BEGLN1
SCHEMBL5619912 0.85 TYR (0.54) TYRCCNE1CDK2GSK3BEGLN1
SCHEMBL5619910 0.85 TYR (0.54) TYRCCNE1CDK2GSK3BEGLN1
SCHEMBL6436676 0.83 TYR (0.54) TYRCCNE1CDK2GSK3B
SCHEMBL6436683 0.83 TYR (0.54) TYRCCNE1CDK2GSK3B
SCHEMBL7246057 0.78 TYR (0.56) TYREGLN1
SCHEMBL5619056 0.77 TYR (0.52) TYRMEN1KMT2A
SCHEMBL5618879 0.76 TYR (0.59) TYRMEN1KMT2A
SCHEMBL5618872 0.76 TYR (0.59) TYRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3950046-B2 2007-07-25 JP claimed
JP-2004509154-A 2004-03-25 JP claimed
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 US claimed
EP-1318974-A2 RESORCINOL DERIVATIVES Pfizer Products Inc. (US) 2003-06-18 EP claimed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 US claimed
WO-2002024613-A2 RESORCINOL DERIVATIVES PFIZER PRODUCTS, INC. (US) 2002-03-28 WO claimed
US-6797731-B2 USE AS SKIN LIGHTENING AGENTS PFIZER INC. 2004-09-28 US disclosed
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 US disclosed
EP-1318974-A2 RESORCINOL DERIVATIVES Pfizer Products Inc. (US) 2003-06-18 EP disclosed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 US disclosed
WO-2002024613-A2 RESORCINOL DERIVATIVES PFIZER PRODUCTS, INC. (US) 2002-03-28 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-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 TYR 8/4885ITGB3 4730/4885ITGAV 4791/4885

“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.