SCHEMBL8587349

SCHEMBL8587349

Cc1cc(C)c(C(N)=O)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX5 P09917 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NQO1 P15559 1/20 0.37
SLC9A1 P19634 1/20 0.37
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MMP3 P08254 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PARP1 P09874 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 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
SCHEMBL7376159 0.79 KMT2A (0.59) KMT2AMEN1MAPTKDM4ENQO1
SCHEMBL9590560 0.79 KMT2A (0.39) KMT2AMEN1MAPTKDM4ENQO1
SCHEMBL24210041 0.77 PRSS1 (0.39) KMT2AMEN1MAPTKDM4EALOX5
SCHEMBL19349235 0.75 MMP3 (0.50) POLBKMT2AMEN1MAPTKDM4E
SCHEMBL16217225 0.74 KMT2A (0.44) POLBKMT2AMEN1MAPTKDM4E
SCHEMBL3062337 0.74 GAA (0.39) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL353258 0.74 MEN1 (0.49) POLBKMT2AMEN1MAPTKDM4E
SCHEMBL15698564 0.72 NNMT (0.33) POLBKMT2AMEN1KDM4EL3MBTL1
SCHEMBL8709552 0.72 KDM4E (0.40) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL10547456 0.71 GSK3B (0.35) POLBKMT2AMEN1MAPTKDM4E

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-20220017524-A1 ARYL HYDROCARBON RECEPTOR (AHR) ACTIVATOR COMPOUNDS AS CANCER THERAPEUTICS THE BROAD INSTITUTE, INC. (US) 2022-01-20 US disclosed
US-20210300882-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-09-30 US disclosed
WO-2017019772-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2017-02-02 WO disclosed
WO-1998042323-A1 STABILIZED UREASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 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-20210300882-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD POLB 4229/4885KMT2A 2739/4885MEN1 33/4885
US-20220017524-A1 ARYL HYDROCARBON RECEPTOR (AHR) ACTIVATOR COMPOUNDS AS CANCER THERAPEUTICS AHR, ESRRA, AR POLB 4397/4885KMT2A 1057/4885MEN1 1705/4885

“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.