SCHEMBL3103357

SCHEMBL3103357

O=C1CCCCC1CC1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA4 P22748 5/20 0.41
CA6 P23280 4/20 0.41
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 2/20 0.35
HBB P68871 1/20 0.35
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32
LMNA P02545 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
SCHEMBL10052945 0.98 CA1 (0.44) CA1CA2CA4CA6KDM4E
SCHEMBL5918112 0.84 CA1 (0.48) CA1CA2CA4CA6KDM4E
SCHEMBL6979304 0.82 TSHR (0.41) CA1CA2CA4CA6KDM4E
SCHEMBL6976158 0.82 CA1 (0.38) CA1CA2CA4CA6KDM4E
SCHEMBL7702898 0.77 CA1 (0.46) CA1CA2CA4CA6KDM4E
SCHEMBL14577664 0.77 CA1 (0.42) CA1CA2CA4CA6KDM4E
SCHEMBL12976022 0.75 CA2 (0.38) CA1CA2CA4CA6KDM4E
SCHEMBL10052944 0.75 CA2 (0.38) CA1CA2CA4CA6KDM4E
SCHEMBL19970916 0.73
SCHEMBL5918173 0.73 CA1 (0.40) CA1CA2CA4CA6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100255051-A1 POLYKETAL POLYMERS, AND METHODS OF MAKING AND USING SAME BENZ MICHAEL ERIC 2010-10-07 US disclosed
US-7741375-B2 Polyketal polymers, and methods of making and using same MEDTRONIC, INC (US) 2010-06-22 US disclosed
EP-1984421-A1 POLYKETAL POLYMERS, AND METHODS OF MAKING AND USING SAME Medtronic, Inc. (US) 2008-10-29 EP disclosed
US-20070265355-A1 Polyketal polymers, and methods of making and using same MEDTRONIC, INC. 2007-11-15 US disclosed
WO-2007098041-A1 POLYKETAL POLYMERS, AND METHODS OF MAKING AND USING SAME MEDTRONIC, INC. (US) 2007-08-30 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 (2 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-20070265355-A1 Polyketal polymers, and methods of making and using same PKLR, PBK, PKM CA1 2998/4885CA2 3667/4885CA4 2181/4885
US-20100255051-A1 POLYKETAL POLYMERS, AND METHODS OF MAKING AND USING SAME PKLR, PBK, PKM CA1 2998/4885CA2 3667/4885CA4 2181/4885

“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.