SCHEMBL17679388

SCHEMBL17679388

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
RCE1 Q9Y256 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOB P27338 2/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PPARG P37231 3/20 0.34

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
SCHEMBL17679379 0.87 ALDH1A1 (0.40) ALDH1A1CYP2C9CYP2C19CYP3A4SLC1A3
SCHEMBL17679369 0.84 ALDH1A1 (0.49) ALDH1A1CYP2C9CYP2C19SLC1A3SLC1A2
SCHEMBL17679381 0.81 RCE1 (0.39) ALDH1A1CYP2C9CYP2C19SLC1A3SLC1A2
SCHEMBL17679382 0.81 RCE1 (0.39) ALDH1A1CYP2C9CYP2C19CYP3A4SLC1A3
SCHEMBL16308015 0.80 MAOB (0.44) CYP2C9CYP2C19SLC1A3SLC1A2SLC1A1
SCHEMBL17679390 0.80 RCE1 (0.50) ALDH1A1CYP2C9CYP2C19CYP3A4SLC1A3
SCHEMBL16308018 0.78 RCE1 (0.38) ALDH1A1CYP2C9CYP2C19SLC1A3SLC1A2
SCHEMBL17679376 0.78 KMT2A (0.50) ALDH1A1CYP2C9CYP2C19CYP3A4SLC1A3
SCHEMBL17679383 0.77 TSHR (0.41) CYP2C9CYP2C19SLC1A3SLC1A2SLC1A1
SCHEMBL18950049 0.77 RCE1 (0.45) ALDH1A1CYP2C9CYP2C19CYP3A4SLC1A3

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 ALDH1A1 2483/4885CYP2C9 1085/4885CYP2C19 925/4885

“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.