SCHEMBL9967720

SCHEMBL9967720

CC(C)/C=C/c1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
IMPDH2 P12268 1/20 0.55
HPGD P15428 4/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
LMNA P02545 4/20 0.53
USP2 O75604 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KDM4E B2RXH2 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
CYP1A2 P05177 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
SCHEMBL10489040 0.82 CYP2A6 (0.69) CYP2A6IMPDH2HPGDHTTMEN1
SCHEMBL27874251 0.81 CYP2A6 (0.58) CYP2A6IMPDH2HPGDHTTMEN1
SCHEMBL7275100 0.79 CYP2A6 (0.60) CYP2A6IMPDH2HPGDHTTMEN1
SCHEMBL13083133 0.79 CYP2A6 (0.60) CYP2A6IMPDH2HPGDHTTMEN1
SCHEMBL21215867 0.79 NQO2 (0.46) CYP2A6IMPDH2HPGDHTTMEN1
SCHEMBL25028287 0.76 CYP2A6 (0.56) CYP2A6IMPDH2HPGDHTTMEN1
SCHEMBL12497570 0.76 CYP2A6 (0.56) CYP2A6IMPDH2HPGDHTTMEN1
SCHEMBL8665125 0.76 CYP2A6 (0.60) CYP2A6IMPDH2HPGDHTTMEN1
SCHEMBL17742293 0.76 CYP2A6 (0.60) CYP2A6IMPDH2HPGDHTTMEN1
SCHEMBL30869156 0.76 MEN1 (0.71) CYP2A6IMPDH2HPGDHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920063-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-20 US disclosed
US-9920063-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-20 US disclosed
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2016-12-22 US disclosed
US-9487536-B2 Melampomagnolide B derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-11-08 US disclosed
US-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2015-07-23 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-7919521-B2 Five-membered iminocyclitol derivatives as selective and potent glycosidase inhibitors: new structures for antivirals and osteoarthritis therapeutics ACADEMIA SINICA (TW) 2011-04-05 US disclosed
US-20090306174-A1 Novel Five-Membered Iminocyclitol Derivatives as Selective and Potent Glycosidase Inhibitors: New Structures for Antivirals and Osteoarthritis Therapeutics ACADEMIA SINICA (TW) 2009-12-10 US 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 (6 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-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB CYP2A6 3292/4885IMPDH2 2142/4885HPGD 3681/4885
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD CYP2A6 2231/4885IMPDH2 167/4885HPGD 130/4885
US-20090306174-A1 Novel Five-Membered Iminocyclitol Derivatives as Selective and Potent Glycosidase Inhibitors: New Structures for Antivirals and Osteoarthritis Therapeutics ACE2, ENGASE, DPP7 CYP2A6 1803/4885IMPDH2 148/4885HPGD 1080/4885
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB CYP2A6 3292/4885IMPDH2 2142/4885HPGD 3681/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD CYP2A6 2231/4885IMPDH2 167/4885HPGD 130/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A CYP2A6 1059/4885IMPDH2 3736/4885HPGD 2081/4885

“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.