SCHEMBL6700335

SCHEMBL6700335

COc1ccc(C2CC(=O)c3c(OC)cc(OC)c(-c4c(OC)cc(OC)c5c4OC(c4ccc(OC)cc4)CC5=O)c3O2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.65
ABCB1 P08183 1/20 0.65
MAPT P10636 3/20 0.64
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64
PABPC1 P11940 1/20 0.64
APEX1 P27695 1/20 0.64
RECQL P46063 1/20 0.64
KMT2A Q03164 1/20 0.64
EIF4H Q15056 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP3A4 P08684 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57

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
SCHEMBL30319723 0.83 ALDH1A1 (0.83) ABCG2MAPTCYP3A4ALDH1A1KDM4E
SCHEMBL4826267 0.83 ALDH1A1 (0.83) ABCG2MAPTCYP3A4ALDH1A1KDM4E
SCHEMBL18106040 0.83 ALDH1A1 (0.83) ABCG2MAPTCYP3A4ALDH1A1KDM4E
SCHEMBL6698533 0.82 ABCG2 (0.66) ABCG2ABCB1MAPTCYP3A4ALDH1A1
SCHEMBL18104369 0.81 ALDH1A1 (0.68) ABCG2ABCB1MAPTCYP3A4ALDH1A1
SCHEMBL28823056 0.81 MAPT (0.82) ABCG2ABCB1MAPTMEN1POLB
SCHEMBL18104378 0.81 ALDH1A1 (0.68) ABCG2ABCB1MAPTCYP3A4ALDH1A1
SCHEMBL6723899 0.80 MAOB (0.62) ABCG2ABCB1MAPTCYP3A4ALDH1A1
Alpinetin SCHEMBL29580312 0.80 CYP1A1 (0.80) ABCG2MAPTMEN1POLBKMT2A
Alpinetin SCHEMBL29844118 0.80 CYP1A1 (0.80) ABCG2MAPTMEN1POLBKMT2A

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-20040147597-A1 Anti-mycobacterium compositions and methods of preparing and using same ADVANCED LIFE SCIENCES, INC. 2004-07-29 US disclosed
US-6677350-B1 ADMINISTERING CHALCONE-LIKE VINYLCARBONYL COMPOUNDS TO PREVENT OR TREAT MYCOBACTERIUM INFECTIONS/TUBERCULOSIS ADVANCED LIFE SCIENCES, INC. 2004-01-13 US disclosed
EP-1217995-A2 ANTI-MYCOBACTERIUM COMPOSITIONS AND METHODS OF PREPARING AND USING SAME Advanced Life Sciences Inc. (US) 2002-07-03 EP disclosed
WO-2001021164-A2 ANTI-MYCOBACTERIUM COMPOSITIONS AND METHODS OF PREPARING AND USING SAME ADVANCED LIFE SCIENCES, INC. (US) 2001-03-29 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 (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-20040147597-A1 Anti-mycobacterium compositions and methods of preparing and using same IMMT, CYP51A1, LSS ABCG2 12/4885ABCB1 1105/4885MAPT 2468/4885

“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.