SCHEMBL6540554

SCHEMBL6540554

COc1ccc(-c2nc(COC(C)=O)oc2-c2ccc(OCc3ccccc3)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PABPC1 P11940 1/20 0.49
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6538800 0.89 PPARD (0.57) PPARDMEN1KMT2AKDM4EHPGD
SCHEMBL6539085 0.89 PPARD (0.54) PPARDPPARGPPARA
SCHEMBL6539010 0.87 PPARD (0.50) PPARDMEN1KMT2APABPC1ACACB
SCHEMBL6207254 0.85 PPARD (0.49) PPARDMEN1KMT2APABPC1ACACB
SCHEMBL6538906 0.85 PPARD (0.49) PPARDMEN1KMT2APABPC1ACACB
SCHEMBL6208143 0.84 MEN1 (0.53) PPARDMEN1KMT2APABPC1ACACB
SCHEMBL6539675 0.83 MEN1 (0.51) PPARDMEN1KMT2APABPC1ACACB
SCHEMBL6539753 0.82 MEN1 (0.48) PPARDMEN1KMT2APABPC1ACACB
SCHEMBL6539033 0.80 MEN1 (0.48) PPARDMEN1KMT2APABPC1ACACB
SCHEMBL6232912 0.80 MEN1 (0.48) PPARDMEN1KMT2APABPC1ACACB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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 (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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885MEN1 4420/4885KMT2A 3081/4885

“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.