SCHEMBL16308017

SCHEMBL16308017

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.37
HTT P42858 3/20 0.33
TSHR P16473 1/20 0.32
AOC3 Q16853 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
IDO1 P14902 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MAOB P27338 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL20034083 0.87 RCE1 (0.43) RCE1HTTTSHRSLC1A3SLC1A2
SCHEMBL20034084 0.87 RCE1 (0.35) RCE1HTTTSHRAOC3SLC1A3
SCHEMBL16308018 0.81 RCE1 (0.38) RCE1HTTTSHRAOC3SLC1A3
SCHEMBL17679382 0.79 RCE1 (0.39) RCE1HTTTSHRAOC3SLC1A3
SCHEMBL16308013 0.78 FAAH (0.45) MEN1KMT2A
SCHEMBL20582755 0.78 FAAH (0.45) MEN1KMT2A
SCHEMBL16291884 0.77 MEN1 (0.44) TSHRMEN1KMT2ACA7CA9
SCHEMBL16291883 0.77 MEN1 (0.44) TSHRMEN1KMT2ACA7CA9
SCHEMBL20034060 0.77 MEN1 (0.44) TSHRMEN1KMT2ACA7CA9
SCHEMBL16308015 0.77 MAOB (0.44) RCE1HTTTSHRSLC1A3SLC1A2

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 RCE1 2694/4885HTT 4201/4885TSHR 3545/4885

“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.