SCHEMBL1491891

SCHEMBL1491891

COc1ccc(O[C@@H]2O[C@@H](C)[C@H](OCc3ccccc3)[C@@H](O)[C@H]2OC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC2A1 P11166 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
LGALS8 O00214 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL13129831 0.87 LGALS8 (0.44) CYP3A4LMNAALDH1A1LGALS8
SCHEMBL1491873 0.86 SLC5A2 (0.42) CYP3A4CYP2D6NPC1RAB9A
SCHEMBL7955544 0.83 NT5E (0.47) CYP3A4SMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL15975387 0.83 ALDH1A1 (0.44) CYP3A4KMT2ALMNAALDH1A1CYP2C9
SCHEMBL13129783 0.83 ALDH1A1 (0.44) CYP3A4KMT2ALMNAALDH1A1CYP2C9
SCHEMBL13129878 0.83 ALDH1A1 (0.44) CYP3A4KMT2ALMNAALDH1A1CYP2C9
SCHEMBL12757249 0.82 CYP3A4 (0.38) CYP3A4CYP2D6KMT2ALMNAMAPK1
SCHEMBL1491946 0.81 FGF2 (0.44) CYP3A4CYP2D6LMNAALDH1A1CYP2C9
SCHEMBL14672600 0.81 FGF2 (0.42) SMN1; SMN2KMT2ANPC1RAB9ATP53
SCHEMBL22073057 0.80 NT5E (0.49) CYP3A4CYP2D6MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7901687-B2 Antibodies for the detection of Bacillus anthracis and vaccine against B. anthracis infections ETH ZURICH (CH) 2011-03-08 US disclosed
US-20090155299-A1 Antibodies for the Detection of Bacillus Anthracis and Vaccine Against B. Anthracis Infections SCHWEIZERISCHES TROPENINSTITUT (CH) 2009-06-18 US disclosed
EP-2012821-A2 ANTIBODIES FOR THE DETECTION OF BACILLUS ANTHRACIS AND VACCINE AGAINST B. ANTHRACIS INFECTIONS ETH Zürich (CH) 2009-01-14 EP disclosed
WO-2007125089-A2 ANTIBODIES FOR THE DETECTION OF BACILLUS ANTHRACIS AND VACCINE AGAINST B. ANTHRACIS INFECTIONS ETH Zürich (CH) 2007-11-08 WO 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-20090155299-A1 Antibodies for the Detection of Bacillus Anthracis and Vaccine Against B. Anthracis Infections ANTXR2, CERT1, DAD1 CYP3A4 3175/4885CYP2D6 3116/4885SMN1; SMN2 2630/4885

“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.