SCHEMBL241773

SCHEMBL241773

C=C(C)COCCCCc1c(C(=O)O)ccc(C(=O)OC(=O)c2ccc(C(=O)O)c(CCCCOCC(=C)C)c2C(=O)O)c1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
RARB P10826 1/20 0.31
PLK1 P53350 1/20 0.31

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
SCHEMBL5523394 0.92 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL5532017 0.83 ALDH1A1 (0.33) PPARAPPARG
SCHEMBL11341097 0.83 PPARA (0.35) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL10544238 0.77 KDM4E (0.31) PPARAPPARG
SCHEMBL10409680 0.77 KDM4E (0.35) PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL6054195 0.75 CYP1A2 (0.37)
SCHEMBL10409668 0.74 KDM4E (0.31)
SCHEMBL5523401 0.74 POLB (0.51) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL29991282 0.74 POLB (0.51) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL9547569 0.72 CYP1A2 (0.42) PPARAPPARGRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120003611-A1 MULTIFUNCTIONAL ACRYLATES USED AS CROSS-LINKERS IN DENTAL AND BIOMEDICAL SELF-ETCHING BONDING ADHESIVES RAGAIN JR JAMES C (US) 2012-01-05 US disclosed
US-8053487-B2 Multifunctional acrylates used as cross-linkers in dental and biomedical self-etching bonding adhesives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-11-08 US disclosed
US-20100197825-A1 MULTIFUNCTIONAL ACRYLATES USED AS CROSS-LINKERS IN DENTAL AND BIOMEDICAL SELF-ETCHING BONDING ADHESIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2010-08-05 US disclosed
WO-2009097152-A1 MULTIFUNCTIONAL ACRYLATES USED AS CROSS-LINKERS IN DENTAL AND BIOMEDICAL SELF-ETCHING BONDING ADHESIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-08-06 WO disclosed
US-7304096-B2 Highly functional dental adhesive composition KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY AND DENTKIST, INC. (KR) 2007-12-04 US disclosed
US-20050277706-A1 Highly functional dental adhesive composition KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-12-15 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-20050277706-A1 Highly functional dental adhesive composition CD44, HBG2, HBG1 PDE4A 3991/4885PDE4B 4498/4885PDE4C 4411/4885

“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.