SCHEMBL4740313

SCHEMBL4740313

C=C(C)CC(CC(=C)C)(C(C)=O)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 2/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL1073247 0.92 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL11254716 0.88 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL4740322 0.86 MEN1 (0.37) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL12215808 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL526722 0.82 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL27614238 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL7126042 0.80 PKM (0.38) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL25209687 0.80 MEN1 (0.53) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL28481211 0.80 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL15624149 0.79 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361922-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2013-01-29 US disclosed
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-05-17 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-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS ORC3, OXER1, CBR3 MEN1 1476/4885KMT2A 2953/4885ALDH1A1 2951/4885

“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.