SCHEMBL3089634

SCHEMBL3089634

COc1cc(C)c2c(c1)C(O)(C1CCCC1)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.41
KMT2A Q03164 2/20 0.34
OPRD1 P41143 1/20 0.34
ALDH1A1 P00352 4/20 0.34
PDE7A Q13946 1/20 0.34
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 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
SCHEMBL3078108 0.99 BRD4 (0.42) BRD4KMT2AOPRD1ALDH1A1PDE7A
SCHEMBL3076923 0.99 BRD4 (0.42) BRD4KMT2AOPRD1ALDH1A1PDE7A
SCHEMBL3080828 0.83 KMT2A (0.49) BRD4KMT2AALDH1A1CYP3A4BRD2
SCHEMBL3093535 0.82 KMT2A (0.48) BRD4KMT2AALDH1A1CYP3A4BRD2
SCHEMBL3093617 0.82 KMT2A (0.48) BRD4KMT2AALDH1A1CYP3A4BRD2
SCHEMBL3085812 0.81 BRD4 (0.45) BRD4KMT2AALDH1A1MAPK1BRD2
SCHEMBL3089419 0.81 BRD4 (0.42) BRD4KMT2AALDH1A1CYP3A4BRD2
SCHEMBL3077997 0.80 BRD4 (0.43) BRD4KMT2AALDH1A1CYP3A4BRD2
SCHEMBL3086306 0.80 BRD4 (0.43) BRD4KMT2AALDH1A1CYP3A4BRD2
SCHEMBL3082395 0.80 BRD4 (0.46) BRD4KMT2AALDH1A1CYP3A4MAPK1

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 6 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
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
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
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 BRD4 616/4885KMT2A 2237/4885OPRD1 84/4885

“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.