SCHEMBL5862011

SCHEMBL5862011

COC(=O)CN1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
PRMT5 O14744 1/20 0.61
WDR77 Q9BQA1 1/20 0.61
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 1/20 0.55
GFER P55789 1/20 0.55
POLB P06746 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL7399072 0.85 MAPT (0.61) KMT2AMEN1PRMT5WDR77MAPT
SCHEMBL5546764 0.85 HDAC3 (0.68) KMT2AMEN1PRMT5WDR77L3MBTL1
Hydrochloric Acid SCHEMBL8824760 0.84 MAPT (0.60) KMT2AMEN1PRMT5WDR77MAPT
SCHEMBL2014179 0.84 DRD2 (0.56) KMT2AMEN1PRMT5WDR77MAPT
SCHEMBL12226492 0.82 MEN1 (0.61) KMT2AMEN1PRMT5WDR77MAPT
SCHEMBL14558964 0.81 NR1H2 (0.51) KMT2AMEN1PRMT5WDR77MAPT
SCHEMBL5859886 0.81 ALDH1A1 (0.46) KMT2AMEN1PRMT5WDR77MAPT
SCHEMBL3478431 0.80 ALDH1A1 (0.59) KMT2AMEN1MAPTL3MBTL1POLB
SCHEMBL12847286 0.79 MEN1 (0.58) KMT2AMEN1PRMT5WDR77MAPT
SCHEMBL24705343 0.79 CARM1 (0.52) PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-19 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 EP disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 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 (3 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-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG KMT2A 2289/4885MEN1 4530/4885PRMT5 1527/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG KMT2A 2289/4885MEN1 4530/4885PRMT5 1527/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG KMT2A 2289/4885MEN1 4530/4885PRMT5 1527/4885

“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.