SCHEMBL6434103

SCHEMBL6434103

CCNC(=O)OC1CCC(c2ccc(O[Si](C)(C)C(C)(C)C)cc2O[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
CCNE1 P24864 11/20 0.40
CDK2 P24941 11/20 0.40
GSK3B P49841 7/20 0.40
ACHE P22303 3/20 0.35
DRD2 P14416 1/20 0.34
KCNA5 P22460 2/20 0.34
PRKAA1 Q13131 1/20 0.34
BCHE P06276 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL6434102 1.00 EPHX1 (0.40) EPHX1CCNE1CDK2GSK3BACHE
SCHEMBL6433347 0.86 EPHX1 (0.43) EPHX1CCNE1CDK2GSK3B
SCHEMBL6433353 0.86 EPHX1 (0.43) EPHX1CCNE1CDK2GSK3B
SCHEMBL6804882 0.84 FAAH (0.43) ACHEBCHE
SCHEMBL6804889 0.84 FAAH (0.43) ACHEBCHE
SCHEMBL6434340 0.78 CA12 (0.39) CA12CA1CA9
SCHEMBL6433452 0.77 MTNR1A (0.37) DRD2CA12CA1CA9
SCHEMBL6435288 0.77 MTNR1A (0.37) DRD2CA12CA1CA9
SCHEMBL6433948 0.77 CA12 (0.39) DRD2CA12CA1CA9
SCHEMBL6433944 0.77 CA12 (0.39) DRD2CA12CA1CA9

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 7 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-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US disclosed
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP disclosed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 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-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 EPHX1 1049/4885CCNE1 3483/4885CDK2 2638/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 EPHX1 1049/4885CCNE1 3483/4885CDK2 2638/4885

“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.