SCHEMBL182227

SCHEMBL182227

Cn1cc2c(c1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
HPGD P15428 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
POLB P06746 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL182198 0.88 ITGB2 (0.33) ITGB2ICAM1ITGALSMN1; SMN2HPGD
SCHEMBL17626547 0.69 NPC1 (0.42) SMN1; SMN2LMNAHTTMAPTKDM4E
SCHEMBL17646200 0.69 NPC1 (0.42) SMN1; SMN2LMNAHTTMAPTKDM4E
SCHEMBL17646207 0.69 NPC1 (0.42) SMN1; SMN2LMNAHTTMAPTKDM4E
SCHEMBL13236592 0.66 CYP3A4 (0.41) HTTHPGDGAAMAPTKDM4E
SCHEMBL27382541 0.65 ITGB2 (0.53) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL182137 0.65
SCHEMBL7266796 0.63
SCHEMBL6365029 0.63 ITGB2 (0.38) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL8525889 0.62 ALDH1A1 (0.47) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979916-B1 CHEMICAL DEFUNCTIONALIZATION OF POLYMERIC ALKYLENEDIOXYHETEROCYCLICS UNIV FLORIDA (US) 2012-03-21 EP claimed
US-7807758-B2 Chemical defunctionalization of polymeric alkylenedioxyheterocyclics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-10-05 US claimed
US-20090221763-A1 Chemical Defunctionalization of Polymeric Alkylenedioxyheterocyclics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-09-03 US claimed
EP-1979916-A2 CHEMICAL DEFUNCTIONALIZATION OF POLYMERIC ALKYLENEDIOXYHETEROCYCLICS University of Florida Research Foundation, Incorporated (US) 2008-10-15 EP claimed
US-20070202612-A1 Plasma-Polymerisation Of Polycylic Compounds FORSKININGSCENTER RISO 2007-08-30 US claimed
WO-2007087587-A2 CHEMICAL DEFUNCTIONALIZATION OF POLYMERIC ALKYLENEDIOXYHETEROCYCLICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-08-02 WO claimed
WO-2005092521-A2 PLASMA-POLYMERISATION OF POLYCYCLIC COMPOUNDS Forskningscenter Risø (DK) 2005-10-06 WO claimed
EP-2402955-B1 Chemical defunctionalization of polymeric alkylenedioxyheterocyclics - the monomers UNIV FLORIDA (US) 2013-07-03 EP disclosed
EP-1979916-B1 CHEMICAL DEFUNCTIONALIZATION OF POLYMERIC ALKYLENEDIOXYHETEROCYCLICS UNIV FLORIDA (US) 2012-03-21 EP disclosed
EP-2402955-A1 Chemical defunctionalization of polymeric alkylenedioxyheterocyclics - the monomers University of Florida Research Foundation, Incorporated (US) 2012-01-04 EP disclosed
US-7807758-B2 Chemical defunctionalization of polymeric alkylenedioxyheterocyclics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-10-05 US disclosed
US-20090221763-A1 Chemical Defunctionalization of Polymeric Alkylenedioxyheterocyclics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-09-03 US disclosed
EP-1979916-A2 CHEMICAL DEFUNCTIONALIZATION OF POLYMERIC ALKYLENEDIOXYHETEROCYCLICS University of Florida Research Foundation, Incorporated (US) 2008-10-15 EP disclosed
US-20070202612-A1 Plasma-Polymerisation Of Polycylic Compounds FORSKININGSCENTER RISO 2007-08-30 US disclosed
US-20070202612-A1 Plasma-Polymerisation Of Polycylic Compounds FORSKININGSCENTER RISO 2007-08-30 US disclosed
WO-2007087587-A2 CHEMICAL DEFUNCTIONALIZATION OF POLYMERIC ALKYLENEDIOXYHETEROCYCLICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-08-02 WO disclosed
WO-2005092521-A3 PLASMA-POLYMERISATION OF POLYCYCLIC COMPOUNDS FORSKNINGSCT RISOE (DK) 2006-03-02 WO disclosed
WO-2005092521-A2 PLASMA-POLYMERISATION OF POLYCYCLIC COMPOUNDS Forskningscenter Risø (DK) 2005-10-06 WO disclosed
WO-2005092521-A2 PLASMA-POLYMERISATION OF POLYCYCLIC COMPOUNDS Forskningscenter Risø (DK) 2005-10-06 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 (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-20090221763-A1 Chemical Defunctionalization of Polymeric Alkylenedioxyheterocyclics DDT, STAT3, PTPN22 ITGB2 2691/4885ICAM1 4479/4885ITGAL 3030/4885

“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.