SCHEMBL13629645

SCHEMBL13629645

CO[C@H]1C[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4[C@@H](C)[C@H](C)CC[C@]4(C(=O)O)CC[C@]23C)C(C)(C)[C@@H]1OC(=O)/C=C/c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
PTPN2 P17706 2/20 0.60
PTPN1 P18031 2/20 0.60
PYGM P11217 1/20 0.60
HSD11B1 P28845 1/20 0.60
PTPN6 P29350 1/20 0.60
HTT P42858 1/20 0.60
GPBAR1 Q8TDU6 1/20 0.60
USP7 Q93009 1/20 0.60
PDE4D Q08499 2/20 0.60
PDE5A O76074 1/20 0.60
PDE9A O76083 1/20 0.60
PDE1B Q01064 1/20 0.60
CETP P11597 1/20 0.59
ACP1 P24666 1/20 0.58
GYS2 P54840 1/20 0.58
RECQL P46063 1/20 0.57

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
SCHEMBL12181444 0.91 PDE4D (0.53) POLBPTPN2PTPN1HSD11B1PDE4D
SCHEMBL4456338 0.89 POLB (0.61) POLBPTPN2PTPN1PYGMHSD11B1
SCHEMBL4456335 0.89 POLB (0.61) POLBPTPN2PTPN1PYGMHSD11B1
SCHEMBL22335282 0.86 POLB (0.75) POLBPTPN2PTPN1HSD11B1PTPN6
SCHEMBL29934316 0.86 PDE4D (0.80) POLBPTPN2PTPN1PYGMHSD11B1
SCHEMBL13487369 0.86 PDE4D (0.80) POLBPTPN2PTPN1PYGMHSD11B1
SCHEMBL13487370 0.86 PDE4D (0.80) POLBPTPN2PTPN1PYGMHSD11B1
SCHEMBL7163156 0.85 EGFR (0.67) POLBPTPN2PTPN1PYGMHSD11B1
SCHEMBL29386542 0.85 EGFR (0.67) POLBPTPN2PTPN1PYGMHSD11B1
SCHEMBL14985353 0.83 PTPN2 (0.53) PTPN2PTPN1PDE4DPDE5APDE9A

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-7612045-B2 Compounds, compositions and methods for controlling biofilms and bacterial infections SEQUOIA SCIENCES, INC. (US) 2009-11-03 US disclosed
US-7612045-B2 Compounds, compositions and methods for controlling biofilms and bacterial infections SEQUOIA SCIENCES, INC. (US) 2009-11-03 US disclosed
US-20080145322-A1 Componds, Composition and Method for Controlling Biofolms and Bacterail Infections SEQUOIA SCIENCES, INC. 2008-06-19 US disclosed
US-20080145322-A1 Componds, Composition and Method for Controlling Biofolms and Bacterail Infections SEQUOIA SCIENCES, INC. 2008-06-19 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-20080145322-A1 Componds, Composition and Method for Controlling Biofolms and Bacterail Infections CFD, SBDS, F2 POLB 3771/4885PTPN2 3067/4885PTPN1 2771/4885

“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.