SCHEMBL13487369

SCHEMBL13487369

C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)C5CC[C@]43C)[C@H]12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.80
PDE5A O76074 1/20 0.80
PDE9A O76083 1/20 0.80
PDE1B Q01064 1/20 0.80
POLB P06746 2/20 0.74
HSD11B1 P28845 2/20 0.67
PYGM P11217 1/20 0.67
PTPN2 P17706 1/20 0.67
PTPN1 P18031 1/20 0.67
PTPN6 P29350 1/20 0.67
HTT P42858 1/20 0.67
GPBAR1 Q8TDU6 1/20 0.67
USP7 Q93009 1/20 0.67
EGFR P00533 1/20 0.64
PLCG1 P19174 2/20 0.61
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
AKR1B10 O60218 1/20 0.59
GABRA1 P14867 1/20 0.59
AKR1B1 P15121 1/20 0.59

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
SCHEMBL29934316 1.00 PDE4D (0.80) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL13487370 1.00 PDE4D (0.80) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL25038978 0.92 GABRP (0.69) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL25038979 0.92 GABRP (0.69) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL25038975 0.92 GABRP (0.69) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL7163156 0.91 EGFR (0.67) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL29386542 0.91 EGFR (0.67) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL13487367 0.90 POLB (0.68) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL13637888 0.90 POLB (0.68) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL24433072 0.89 PDE4D (0.73) PDE4DPDE5APDE9APDE1BPOLB

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-20100041753-A1 INHIBITION OF BIOFILM FORMATION SEQUOIA SCIENCE, INC. (US) 2010-02-18 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-20070014739-A1 Compositions and methods for controlling biofilms and bacterial infections SEQUOIA SCIENCES, INC. 2007-01-18 US disclosed
US-20070014739-A1 Compositions and methods for controlling biofilms and bacterial infections SEQUOIA SCIENCES, INC. 2007-01-18 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 (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-20080145322-A1 Componds, Composition and Method for Controlling Biofolms and Bacterail Infections CFD, SBDS, F2 PDE4D 1329/4885PDE5A 2682/4885PDE9A 2906/4885
US-20070014739-A1 Compositions and methods for controlling biofilms and bacterial infections RHOA, ALOX5, BLVRB PDE4D 1223/4885PDE5A 506/4885PDE9A 1427/4885

“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.