SCHEMBL1491902

SCHEMBL1491902

COc1ccc(O[C@H]2O[C@H](C)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC(=O)CCC(C)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.34
MMP3 P08254 3/20 0.34
MMP9 P14780 3/20 0.34
ADAM17 P78536 3/20 0.34
LGALS8 O00214 1/20 0.33
CYP3A4 P08684 4/20 0.33
LMNA P02545 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FGF2 P09038 1/20 0.31
MDK P21741 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.30
MEN1 O00255 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
SCHEMBL1491868 0.81 LGALS8 (0.40) LGALS8CYP3A4LMNASMN1; SMN2ALDH1A1
SCHEMBL1491915 0.75 MMP1 (0.36) MMP1MMP3MMP9ADAM17ALDH1A1
SCHEMBL1491946 0.73 FGF2 (0.44) LGALS8CYP3A4LMNACYP2C19CYP2C9
SCHEMBL1491923 0.69 FGF2 (0.43) LGALS8CYP3A4LMNACYP2C19CYP2C9
SCHEMBL7948147 0.69 ALDH1A1 (0.38) CYP3A4LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4546287 0.68 CA2 (0.33) ALDH1A1
SCHEMBL17590140 0.68 CA2 (0.33) ALDH1A1
SCHEMBL9502904 0.68 CA9 (0.33) MMP1MMP3MMP9ADAM17
SCHEMBL1491856 0.67 TACR1 (0.35) CYP3A4KMT2AMEN1
SCHEMBL4189072 0.67 CYP3A4 (0.49) LGALS8CYP3A4LMNACYP2C19CYP2C9

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 MMP1 2075/4885MMP3 1771/4885MMP9 1523/4885

“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.