SCHEMBL16308015

SCHEMBL16308015

C=C[C@H](OCc1ccccc1)[C@@H](/C=C\Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
IDO1 P14902 2/20 0.37
RCE1 Q9Y256 1/20 0.37
AGXT P21549 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ARG2 P78540 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 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
SCHEMBL20034061 0.86 RCE1 (0.43) MAOBIDO1RCE1AGXTCA1
SCHEMBL17679381 0.86 RCE1 (0.39) IDO1RCE1AGXTCA1CA2
SCHEMBL17679382 0.86 RCE1 (0.39) MAOBIDO1RCE1AGXTCA1
SCHEMBL17679383 0.84 TSHR (0.41) IDO1RCE1AGXTCA1CA2
SCHEMBL16308018 0.82 RCE1 (0.38) IDO1RCE1AGXTCA1CA2
SCHEMBL17679390 0.81 RCE1 (0.50) IDO1RCE1TSHRHTTSLC1A3
SCHEMBL22082811 0.81 LTA4H (0.36) IDO1RCE1AGXTTSHRHTT
SCHEMBL16309645 0.81 KCNH2 (0.38) MAOBCA1CA2ARG2TSHR
SCHEMBL16291884 0.81 MEN1 (0.44) TSHRMEN1KMT2ACA7CA9
SCHEMBL20034060 0.81 MEN1 (0.44) TSHRMEN1KMT2ACA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 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-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C MAOB 1016/4885IDO1 878/4885RCE1 2694/4885

“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.