SCHEMBL10090757

SCHEMBL10090757

COc1cc2c(cc1OC)C(c1ccccc1)CC(=O)N2

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.78
TSHR P16473 2/20 0.78
KMT2A Q03164 1/20 0.78
L3MBTL1 Q9Y468 2/20 0.77
TDP1 Q9NUW8 1/20 0.77
PKM P14618 1/20 0.75
MAPK1 P28482 4/20 0.73
ALDH1A1 P00352 2/20 0.73
TP53 P04637 2/20 0.70
ALOX15 P16050 1/20 0.68
GFER P55789 1/20 0.68

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
SCHEMBL13522422 0.86 PKM (0.76) GAATSHRKMT2AL3MBTL1TDP1
SCHEMBL13522408 0.84 MAPK1 (1.00) GAATSHRKMT2AL3MBTL1TDP1
SCHEMBL15359678 0.84 GAA (0.71) GAATSHRKMT2AL3MBTL1TDP1
SCHEMBL30866425 0.82 KMT2A (0.60) GAATSHRKMT2AL3MBTL1TDP1
SCHEMBL880263 0.82 KMT2A (0.60) GAATSHRKMT2AL3MBTL1TDP1
SCHEMBL880353 0.82 KMT2A (0.63) GAATSHRKMT2AL3MBTL1TDP1
SCHEMBL880262 0.79 TDP1 (0.53) GAATSHRKMT2AL3MBTL1TDP1
SCHEMBL12559670 0.77 TDP1 (0.57) GAATSHRKMT2AL3MBTL1TDP1
SCHEMBL7037938 0.77 KDM4E (1.00) GAATSHRKMT2AL3MBTL1TDP1
SCHEMBL10090707 0.76 KMT2A (0.74) GAATSHRKMT2AL3MBTL1TDP1

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-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 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 (2 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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF GAA 4158/4885TSHR 2099/4885KMT2A 3928/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF GAA 4158/4885TSHR 2099/4885KMT2A 3928/4885

“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.