SCHEMBL678776

SCHEMBL678776

COc1cccc(C2=CC(=O)CCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
NR4A2 P43354 1/20 0.40
DHODH Q02127 1/20 0.40
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
ALOX5 P09917 2/20 0.38
IDH1 O75874 1/20 0.37
HSP90AA1 P07900 4/20 0.36
HSP90AB1 P08238 4/20 0.36
BACE1 P56817 1/20 0.36
CNR1 P21554 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TRAP1 Q12931 1/20 0.34

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
SCHEMBL3155981 0.73 BTK (0.61) BTKDDB1CRBNALOX5IDH1
SCHEMBL11623600 0.70 KDM4E (0.45) BTKHSP90AA1
SCHEMBL678951 0.69 BTK (0.47) BTKDDB1CRBNNR4A2DHODH
SCHEMBL20796151 0.68 BTK (0.42) BTKDDB1CRBNNR4A2DHODH
SCHEMBL16434801 0.68 SIGMAR1 (0.45) BTK
SCHEMBL31651838 0.68 SIGMAR1 (0.45) BTK
Hydrochloric Acid SCHEMBL16423084 0.67 HTR2C (0.46) BTK
SCHEMBL678459 0.67 NCOA1 (0.62) DHODH
SCHEMBL160602 0.66 BTK (0.47) BTKDDB1CRBNGRM5ALOX5
SCHEMBL3961649 0.66 ALDH1A1 (0.57) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 US disclosed
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 US disclosed
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
EP-2166841-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE Mission Pharmacal Company (US) 2010-03-31 EP disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 US disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 US disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 US disclosed
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 WO disclosed
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 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 (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-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase VIP, PDE3B, ADCY5 BTK 2290/4885DDB1 3747/4885CRBN 3945/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 BTK 2290/4885DDB1 3747/4885CRBN 3945/4885

“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.