SCHEMBL5366022

SCHEMBL5366022

O=S(=O)(N[C@H]1CC[C@@H](c2ccc(O)cc2O)CC1)c1cccc(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
TYR P14679 1/20 0.42
KMT2A Q03164 3/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
PARG Q86W56 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BRD4 O60885 3/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL5366023 1.00 ALDH1A1 (0.45) ALDH1A1LMNATYRKMT2AADRB2
SCHEMBL5361138 0.88 KDM4E (0.42) ALDH1A1LMNATYRKMT2APARG
SCHEMBL5361131 0.88 KDM4E (0.42) ALDH1A1LMNATYRKMT2APARG
SCHEMBL5374245 0.86 ALDH1A1 (0.48) ALDH1A1LMNATYRKMT2APARG
SCHEMBL5374241 0.86 ALDH1A1 (0.48) ALDH1A1LMNATYRKMT2APARG
SCHEMBL5374721 0.86 ALDH1A1 (0.48) ALDH1A1LMNATYRKMT2APARG
SCHEMBL14249971 0.85 ALDH1A1 (0.58) ALDH1A1LMNAKMT2APARGTDP1
SCHEMBL5356514 0.82 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPT
SCHEMBL5364654 0.82 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPT
SCHEMBL5356508 0.82 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPT

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
US-6852747-B2 Resorcinol derivatives PFIZER INC. (US) 2005-02-08 US claimed
EP-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP claimed
US-20030180236-A1 Resorcinol derivatives PFIZER PRODUCTS, INC. 2003-09-25 US claimed
US-6590105-B2 For skin lightening or depigmentation; works by inhibiting tyrosinase in humans; kits WARNER-LAMBERT COMPANY 2003-07-08 US claimed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 US claimed
US-7282592-B2 Resorcinol derivatives WARNER-LAMBERT COMPANY (US) 2007-10-16 US disclosed
US-20070122367-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2007-05-31 US disclosed
US-7173052-B2 Resorcinol derivatives PFIZER INC. (US) 2007-02-06 US disclosed
US-20050282899-A1 Resorcinol for lightening skin removing color BRADLEY STUART E 2005-12-22 US disclosed
US-6852747-B2 Resorcinol derivatives PFIZER INC. (US) 2005-02-08 US disclosed
EP-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP disclosed
US-20030180236-A1 Resorcinol derivatives PFIZER PRODUCTS, INC. 2003-09-25 US disclosed
US-6590105-B2 For skin lightening or depigmentation; works by inhibiting tyrosinase in humans; kits WARNER-LAMBERT COMPANY 2003-07-08 US disclosed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 US 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 (4 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-20070122367-A1 RESORCINOL DERIVATIVES LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885LMNA 1644/4885TYR 8/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885LMNA 1644/4885TYR 8/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 ALDH1A1 164/4885LMNA 613/4885TYR 14/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885LMNA 1644/4885TYR 8/4885

“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.