SCHEMBL9970321

SCHEMBL9970321

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.58
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
XBP1 P17861 1/20 0.53
MAPK1 P28482 1/20 0.53
EPHX1 P07099 4/20 0.52
ALDH1A1 P00352 2/20 0.52
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
TRPV1 Q8NER1 3/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL9280415 0.94 CNR1 (0.60) CNR1MEN1KMT2AHTTRAB9A
SCHEMBL15750289 0.86 EPHX1 (0.59) CNR1HTTRAB9AMAPK1EPHX1
SCHEMBL14873812 0.85 KMT2A (0.61) CNR1MEN1KMT2AHTTRAB9A
SCHEMBL16129581 0.84 SIRT1 (0.59) CNR1MEN1KMT2AHTTRAB9A
SCHEMBL15532876 0.84 CNR1 (0.63) CNR1MEN1KMT2AHTTRAB9A
SCHEMBL15829520 0.84 CNR1 (0.59) CNR1MEN1KMT2AHTTRAB9A
SCHEMBL9970719 0.83 CNR1 (0.55) CNR1MEN1KMT2AHTTRAB9A
SCHEMBL12604885 0.82 HDAC1 (0.52) MEN1KMT2AHTTRAB9ANPC1
SCHEMBL5667497 0.81 ALDH1A1 (0.64) CNR1MEN1KMT2AHTTRAB9A
SCHEMBL23456343 0.81 MEN1 (0.74) CNR1MEN1KMT2AHTTRAB9A

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 4059/4885MEN1 3412/4885KMT2A 23/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT CNR1 4059/4885MEN1 3412/4885KMT2A 23/4885

“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.