SCHEMBL5619802

SCHEMBL5619802

O=C(O)N(c1ccccc1)[C@H]1CC[C@H](c2ccc(O)cc2O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
CHRM2 P08172 5/20 0.39
CHRM3 P20309 5/20 0.39
PDK1 Q15118 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRD1 P41143 4/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
OPRM1 P35372 5/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRK1 P41145 3/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL5619797 1.00 TYR (0.47) TYRCHRM2CHRM3PDK1MEN1
SCHEMBL7245757 0.79 TYR (0.54) TYRCHRM2CHRM3PDK1OPRD1
SCHEMBL7245773 0.79 TYR (0.54) TYRCHRM2CHRM3PDK1OPRD1
SCHEMBL28891615 0.79 MEN1 (0.54) CHRM2CHRM3MEN1KMT2AKDM4E
SCHEMBL6799615 0.77 TYR (0.46) TYRCHRM2CHRM3PDK1MEN1
SCHEMBL6802537 0.77 TYR (0.46) TYRCHRM2CHRM3PDK1MEN1
SCHEMBL6799618 0.77 TYR (0.46) TYRCHRM2CHRM3PDK1MEN1
SCHEMBL28017518 0.76 CHRM2 (0.50) TYRCHRM2CHRM3MEN1KMT2A
SCHEMBL19249421 0.75 TYR (0.48) TYRMEN1KMT2AALDH1A1RAB9A
SCHEMBL6806765 0.74 OPRM1 (0.56) TYROPRM1

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 14 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
WO-2007095630-A2 NEW UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 WO disclosed
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 8/4885CHRM2 3548/4885CHRM3 3836/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 TYR 8/4885CHRM2 3548/4885CHRM3 3836/4885

“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.