SCHEMBL3070529

SCHEMBL3070529

COc1cc2c(c(C)c1C)NC(=O)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
CES1 P23141 4/20 0.46
ALDH1A1 P00352 2/20 0.46
ALDH2 P05091 1/20 0.46
ALDH3A1 P30838 1/20 0.46
DAO P14920 1/20 0.41
TGM2 P21980 1/20 0.41
DNMT1 P26358 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
CCNA1 P78396 1/20 0.38

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
SCHEMBL27807352 0.82 L3MBTL1 (0.48) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL3083667 0.79 CES1 (0.59) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL5697183 0.76 L3MBTL1 (0.56) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL11362269 0.75 ALDH1A1 (0.53) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL25647619 0.74 CES1 (0.45) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL16196918 0.74 ALDH1A1 (0.49) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL25165617 0.73 ALDH1A1 (0.45) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL2499173 0.72 ALDH1A1 (0.58) L3MBTL1CES1ALDH1A1TGM2CA1
SCHEMBL3131458 0.71 CES1 (0.54) L3MBTL1CES1ALDH1A1TGM2PDE3B
SCHEMBL30615182 0.71 L3MBTL1 (0.55) L3MBTL1CES1ALDH1A1DAOKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
EP-2139856-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS Topotarget A/S (DK) 2010-01-06 EP disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TPH2, TPH1, HTR2C L3MBTL1 2191/4885CES1 3688/4885ALDH1A1 360/4885

“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.