SCHEMBL2777685

SCHEMBL2777685

CC1C2C=CC1C(c1c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc13)C2C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 11/20 1.00
GNB1 P62873 11/20 1.00
ALOX15 P16050 5/20 1.00
HSPA1A P0DMV8 4/20 1.00
HSPA8 P11142 4/20 1.00
HSD17B10 Q99714 4/20 1.00
HPGD P15428 4/20 1.00
CYP2C9 P11712 3/20 1.00
CYP2C19 P33261 3/20 1.00
BRCA1 P38398 3/20 1.00
CYP1A2 P05177 2/20 1.00
HIF1A Q16665 2/20 0.56
TSHR P16473 1/20 0.56
GRK2 P25098 1/20 0.56
PHLPP2 Q6ZVD8 1/20 0.56
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
STAT6 P42226 1/20 0.48

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
SCHEMBL13352343 0.82 GNG2 (0.70) GNG2GNB1ALOX15HSPA1AHSPA8
SCHEMBL13320832 0.80 GNG2 (1.00) GNG2GNB1ALOX15HSPA1AHSPA8
SCHEMBL13352342 0.77 GNG2 (0.70) GNG2GNB1ALOX15HSPA1AHSPA8
SCHEMBL2789905 0.73 GNG2 (0.65) GNG2GNB1ALOX15HSPA1AHSPA8
SCHEMBL2779115 0.73 GNG2 (0.66) GNG2GNB1ALOX15HSPA1AHSPA8
SCHEMBL16556417 0.73 GNG2 (0.65) GNG2GNB1ALOX15HSPA1AHSPA8
SCHEMBL13891706 0.72 GNG2 (0.74) GNG2GNB1ALOX15HSPA1AHSPA8
SCHEMBL13891725 0.72 GNG2 (1.00) GNG2GNB1ALOX15HSPA1AHSPA8
SCHEMBL16556406 0.72 GNG2 (1.00) GNG2GNB1ALOX15HSPA1AHSPA8
SCHEMBL2778459 0.72 GNG2 (1.00) GNG2GNB1ALOX15HSPA1AHSPA8

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2010-05-27 US claimed
EP-2147310-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING University of Rochester (US) 2010-01-27 EP claimed
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO claimed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 WO claimed
US-8975259-B2 Compositions and methods for inhibiting G protein signaling UNIVERSITY OF ROCHESTER (US) 2015-03-10 US disclosed
US-8975259-B2 Compositions and methods for inhibiting G protein signaling UNIVERSITY OF ROCHESTER (US) 2015-03-10 US disclosed
US-8975259-B2 Compositions and methods for inhibiting G protein signaling UNIVERSITY OF ROCHESTER (US) 2015-03-10 US disclosed
US-8748480-B2 Methods for treating opioid tolerance UNIVERSITY OF ROCHESTER (US) 2014-06-10 US disclosed
US-8748480-B2 Methods for treating opioid tolerance UNIVERSITY OF ROCHESTER (US) 2014-06-10 US disclosed
US-20130116313-A1 Compositions and Methods for Inhibiting G Protein Signaling UNIVERSITY OF ROCHESTER (US) 2013-05-09 US disclosed
US-20130116313-A1 Compositions and Methods for Inhibiting G Protein Signaling UNIVERSITY OF ROCHESTER (US) 2013-05-09 US disclosed
US-8076375-B2 Methods of inhibiting poxvirus growth THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2011-12-13 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO disclosed
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO disclosed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 WO disclosed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 WO disclosed
US-20080306031-A1 Methods of Inhibiting Poxvirus Growth SALK INSTITUTE FOR BIOLOGICAL STUDIES 2008-12-11 US disclosed
US-20080306031-A1 Methods of Inhibiting Poxvirus Growth SALK INSTITUTE FOR BIOLOGICAL STUDIES 2008-12-11 US disclosed
WO-2007047339-A2 METHODS OF INHIBITING POXVIRUS GROWTH THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2007-04-26 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 (4 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD GNG2 1544/4885GNB1 1702/4885ALOX15 2939/4885
US-20130116313-A1 Compositions and Methods for Inhibiting G Protein Signaling GNAI3, GNAI1, GNAI2 GNG2 7/4885GNB1 4/4885ALOX15 4080/4885
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING GNAI1, GNAI3, GNAI2 GNG2 5/4885GNB1 4/4885ALOX15 3602/4885
US-20080306031-A1 Methods of Inhibiting Poxvirus Growth TTK, TXK, DCK GNG2 1859/4885GNB1 1418/4885ALOX15 3963/4885

“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.