SCHEMBL6433944

SCHEMBL6433944

CC(C)(C)[Si](C)(C)Oc1ccc([C@H]2CC[C@H](O)CC2)c(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
PREP P48147 4/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NTSR1 P30989 1/20 0.31
CNR2 P34972 3/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL6499011 1.00 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL6434515 1.00 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL6433948 1.00 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL5360774 0.86 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL5360778 0.86 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL5363897 0.86 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL6433400 0.85 CA12 (0.36) CA12CA1CA9PREPHSP90AA1
SCHEMBL6433716 0.85 CA12 (0.36) CA12CA1CA9PREPHSP90AA1
SCHEMBL7213965 0.85 CA12 (0.36) CA12CA1CA9PREPHSP90AA1
SCHEMBL6433023 0.85 CA12 (0.36) CA12CA1CA9PREPHSP90AA1

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
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US disclosed
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed
US-6828460-B2 Containing at least one ester, oxime, sulfonamide, hydroxyamino or alkyoxyamino functionality; skin lightening agents; tyrosinase inhibitors PFIZER INC. 2004-12-07 US disclosed
US-20040209949-A1 Resorcinol derivatives BROWNING ANDREW FRANCIS (SE) 2004-10-21 US 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-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 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 (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-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 CA12 4452/4885CA1 4863/4885CA9 3517/4885
US-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 CA12 4635/4885CA1 4874/4885CA9 3732/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 CA12 4452/4885CA1 4863/4885CA9 3517/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 CA12 4635/4885CA1 4874/4885CA9 3732/4885

“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.