SCHEMBL5620809

SCHEMBL5620809

O=C(NCc1ccccc1)OC1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.64
BCHE P06276 10/20 0.47
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
CES2 O00748 1/20 0.43
KCNA3 P22001 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL5620805 1.00 TYR (0.64) TYRBCHEMMP1MMP2MMP9
SCHEMBL7246057 0.87 TYR (0.56) TYRBCHE
SCHEMBL6436676 0.83 TYR (0.54) TYRBCHE
SCHEMBL6436683 0.83 TYR (0.54) TYRBCHE
SCHEMBL27810920 0.82 BCHE (0.61) BCHEKCNA3F2PRSS1HDAC3
SCHEMBL6806375 0.82 TYR (0.58) TYRBCHE
SCHEMBL6806377 0.82 TYR (0.58) TYRBCHE
SCHEMBL16564484 0.82 TYR (0.48) TYRBCHEMMP1MMP2MMP9
SCHEMBL7238393 0.78 TYR (1.00) TYR
SCHEMBL2473352 0.78 NPSR1 (0.58) TDP1F2PRSS1

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 13 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
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 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
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 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 (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-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 TYR 8/4885BCHE 1952/4885MMP1 2085/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 TYR 8/4885BCHE 1952/4885MMP1 2085/4885

“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.