SCHEMBL17679382

SCHEMBL17679382

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.39
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL16308015 0.86 MAOB (0.44) RCE1IDO1AGXTTSHRMEN1
SCHEMBL17679381 0.84 RCE1 (0.39) RCE1IDO1AGXTTSHRMEN1
SCHEMBL16308018 0.84 RCE1 (0.38) RCE1IDO1AGXTTSHRMEN1
SCHEMBL17679383 0.83 TSHR (0.41) RCE1IDO1AGXTTSHRMEN1
SCHEMBL17679390 0.82 RCE1 (0.50) RCE1IDO1TSHRMEN1KMT2A
SCHEMBL17679388 0.81 ALDH1A1 (0.41) RCE1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL20034084 0.80 RCE1 (0.35) RCE1IDO1AGXTTSHRMEN1
SCHEMBL22082811 0.80 LTA4H (0.36) RCE1IDO1AGXTTSHRMEN1
SCHEMBL16291884 0.79 MEN1 (0.44) TSHRMEN1KMT2ACA7CA9
SCHEMBL16291883 0.79 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101414-A1 HIGHLY Z-SELECTIVE AND ENANTIOSELECTIVE RING OPENING/CROSS METATHESIS CATALYZED BY A RESOLVED STEREOGENIC-AT-RU COMPLEX CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-04-14 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-20160101414-A1 HIGHLY Z-SELECTIVE AND ENANTIOSELECTIVE RING OPENING/CROSS METATHESIS CATALYZED BY A RESOLVED STEREOGENIC-AT-RU COMPLEX ZFR, ZDHHC7, ORC3 RCE1 200/4885IDO1 840/4885AGXT 1313/4885

“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.