SCHEMBL807969

SCHEMBL807969

CSC/C=C(\C)CCC=C(C)C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
ICMT O60725 1/20 0.58
MEN1 O00255 3/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
UGT1A1 P22309 1/20 0.56
TRPA1 O75762 1/20 0.55
SQLE Q14534 6/20 0.54
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL8070596 1.00 KMT2A (0.62) KMT2AICMTMEN1CYP3A4ALOX15
SCHEMBL8064943 1.00 KMT2A (0.62) KMT2AICMTMEN1CYP3A4ALOX15
SCHEMBL14672158 0.98 KMT2A (0.67) KMT2AICMTMEN1CYP3A4ALOX15
SCHEMBL8054817 0.98 KMT2A (0.67) KMT2AICMTMEN1CYP3A4ALOX15
SCHEMBL14227951 0.98 KMT2A (0.67) KMT2AICMTMEN1CYP3A4ALOX15
SCHEMBL3791171 0.84 ICMT (0.71) KMT2AICMTMEN1CYP3A4ALOX15
SCHEMBL31311008 0.82 KMT2A (0.70) KMT2AICMTMEN1CYP3A4ALOX15
SCHEMBL2879944 0.82 ICMT (0.75) KMT2AICMTMEN1CYP3A4ALOX15
SCHEMBL19868122 0.81 KMT2A (0.45) KMT2AICMTMEN1CYP3A4ALOX15
SCHEMBL10048459 0.80 KMT2A (0.67) KMT2AICMTMEN1CYP3A4ALOX15

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-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2013-10-10 US disclosed
US-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2013-10-10 US disclosed
WO-2012034232-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2012-03-22 WO disclosed
US-8084644-B2 Agricultural pesticide; Wide variety of compounds, for example phenyl N-phenyl-3-(phenylthio)thioacrylimidate; formula X-CH=CH-C(-Y)=N-Z where X, Y and Z are variable SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-8084644-B2 Agricultural pesticide; Wide variety of compounds, for example phenyl N-phenyl-3-(phenylthio)thioacrylimidate; formula X-CH=CH-C(-Y)=N-Z where X, Y and Z are variable SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed
US-6060207-A LOW IN ABSORPTION OF A LIGHT SOURCE OF SHORT WAVELENGTH AND EXCELLENT IN DRY ETCH RESISTANCE; COMPRISES A COMPOUND HAVING A TERPENOID SKELETON KABUSHIKI KAISHA TOSHIBA (JP) 2000-05-09 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 (1 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-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS PMP22, PTGES, GGPS1 KMT2A 3842/4885ICMT 1719/4885MEN1 2728/4885

“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.