SCHEMBL4968047

SCHEMBL4968047

CCOC(CC)Oc1ccc(C=CC=Cc2ccc(OC(=O)OC(C)(C)Cc3ccc(C=CO)cc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.30
PMP22 Q01453 1/20 0.30
NLRP3 Q96P20 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
PTGS2 P35354 1/20 0.30
ELANE P08246 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
SCHEMBL5454889 0.92 CTSK (0.36) CTSKCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3838403 0.89 CYP3A4 (0.33) CTSKCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7269892 0.86 ELANE (0.34) PPARDPPARAPPARGBCHEACHE
SCHEMBL4966706 0.86 PPARG (0.32) PPARAPPARG
SCHEMBL6552052 0.84 CYP3A4 (0.35) CTSKCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL5676024 0.83 CTSK (0.36) CTSKBCHE
SCHEMBL7265017 0.80 PPARG (0.37) CTSKCYP1A2CYP2C19PPARAPPARG
SCHEMBL6551673 0.79 PPARG (0.35) CTSKCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3837811 0.79 CTSK (0.33) CTSKPPARAPPARGELANE
SCHEMBL7269907 0.78 PPARG (0.31) CTSKPPARAPPARG

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
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP disclosed
US-6924323-B2 Sulfonium salt compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-6723483-B1 Sulfonium salt compounds WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
US-20040033434-A1 Sulfonium salt compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2004-02-19 US disclosed
US-6656660-B1 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-02 US disclosed
EP-1314725-A1 SULFONIUM SALT COMPOUND Wako Pure Chemical Industries, Ltd. (JP) 2003-05-28 EP disclosed
EP-1024406-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 2000-08-02 EP 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 (1 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-20040033434-A1 Sulfonium salt compound SPIN1, RER1, SPIN2B CTSK 3904/4885CYP3A4 2460/4885CYP1A2 1973/4885

“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.