SCHEMBL6499014

SCHEMBL6499014

CC(C)(C)[Si](C)(C)Oc1ccc(C2CCC(O)(C3(O)CCC(c4ccc(O[Si](C)(C)C(C)(C)C)cc4O[Si](C)(C)C(C)(C)C)CC3)CC2)c(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
PREP P48147 4/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MMP2 P08253 1/20 0.30
MMP13 P45452 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
SCHEMBL6433061 0.91 CA12 (0.37) CA12CA1CA9PREPHSP90AA1
SCHEMBL6433055 0.91 CA12 (0.37) CA12CA1CA9PREPHSP90AA1
SCHEMBL6434920 0.86 CA12 (0.37) CA12CA1CA9PREPHSP90AA1
SCHEMBL6433944 0.85 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL6433948 0.85 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL6499011 0.85 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL6434515 0.85 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL6804163 0.83 CA12 (0.40) CA12CA1CA9PREPHSP90AA1
SCHEMBL5360774 0.82 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL5360778 0.82 CA12 (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US 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-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 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 (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-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 CA12 4452/4885CA1 4863/4885CA9 3517/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 CA12 4452/4885CA1 4863/4885CA9 3517/4885

“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.