SCHEMBL9970719

SCHEMBL9970719

CC(C)(C)c1ccc(NC(=O)NCCCCC=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.55
TRPV1 Q8NER1 3/20 0.53
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
TSHR P16473 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL9936693 0.90 CNR1 (0.59) CNR1TRPV1RAB9AMEN1KMT2A
SCHEMBL9970321 0.83 CNR1 (0.58) CNR1TRPV1RAB9AMEN1KMT2A
SCHEMBL14873812 0.82 KMT2A (0.61) CNR1TRPV1RAB9AMEN1KMT2A
SCHEMBL9280415 0.82 CNR1 (0.60) CNR1TRPV1RAB9AMEN1KMT2A
SCHEMBL15532876 0.81 CNR1 (0.63) CNR1TRPV1RAB9AMEN1KMT2A
SCHEMBL15829520 0.81 CNR1 (0.59) CNR1TRPV1RAB9AMEN1KMT2A
SCHEMBL30831949 0.81 CNR1 (0.67) CNR1TRPV1RAB9AMEN1KMT2A
SCHEMBL15750289 0.81 EPHX1 (0.59) CNR1RAB9AHTTMAPK1EPHX2
SCHEMBL23456343 0.79 MEN1 (0.74) CNR1TRPV1RAB9AMEN1KMT2A
SCHEMBL14097983 0.79 CNR1 (0.56) CNR1TRPV1RAB9AMEN1KMT2A

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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT CNR1 4059/4885TRPV1 4824/4885RAB9A 3514/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT CNR1 4059/4885TRPV1 4824/4885RAB9A 3514/4885

“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.