SCHEMBL13555258

SCHEMBL13555258

COc1cc(CN)cc(CO)c1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.44
▸ PDE4B Q07343 5/20 0.44
▸ PDE4C Q08493 5/20 0.44
▸ PDE4D Q08499 5/20 0.44
▸ PDE5A O76074 4/20 0.44
▸ PDE1A P54750 4/20 0.44
▸ PDE1B Q01064 4/20 0.44
▸ PDE3B Q13370 4/20 0.44
▸ PDE1C Q14123 4/20 0.44
▸ PDE3A Q14432 4/20 0.44
▸ DPP4 P27487 1/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL14666158 0.87 MAPT (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL13643410 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL13953696 0.84 PTGS2 (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL14666219 0.79 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL14551480 0.79 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL15307678 0.78 ALDH1A1 (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL12416107 0.78 GAA (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL129806 0.77 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL10149308 0.76 PDCD1 (0.47) PDE4APDE4BPDE4CPDE4DDPP4
SCHEMBL10030789 0.76 GAA (0.51) TAAR1TSHRMAPK1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9804168-B2 Biomarker discovery in complex biological fluid using bead or particle based libraries and diagnostic kits and therapeutics OPKO PHARMACEUTICALS, LLC (US) 2017-10-31 — — US disclosed
US-9551721-B2 Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-24 — — US disclosed
US-20120270741-A1 BIOMARKER DISCOVERY IN COMPLEX BIOLOGICAL FLUID USING BEAD OR PARTICLE BASED LIBRARIES AND DIAGNOSTIC KITS AND THERAPEUTICS OPKO PHARMACEUTICALS, LLC 2012-10-25 — — 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-20120270741-A1 BIOMARKER DISCOVERY IN COMPLEX BIOLOGICAL FLUID USING BEAD OR PARTICLE BASED LIBRARIES AND DIAGNOSTIC KITS AND THERAPEUTICS PMP22, TNFSF11, SELPLG PDE4A 3237/4885PDE4B 3256/4885PDE4C 3291/4885

“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.

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