SCHEMBL678836

SCHEMBL678836

COc1cccc(C2=CC(=O)CC(c3ccc(F)cc3)C2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.70
ATM Q13315 1/20 0.67
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
TDP1 Q9NUW8 1/20 0.52
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
FADS1 O60427 1/20 0.44
GAA P10253 2/20 0.43
GRM5 P41594 1/20 0.42
NPY5R Q15761 1/20 0.42

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
SCHEMBL13925899 0.88 L3MBTL1 (0.55) L3MBTL1ATMALDH1A1MEN1MAPK1
SCHEMBL13096502 0.77 ALDH1A1 (1.00) L3MBTL1ATMALDH1A1MEN1MAPK1
SCHEMBL679418 0.77 POLB (0.50) L3MBTL1ALDH1A1MEN1MAPK1KMT2A
SCHEMBL12367596 0.75 NCOA1 (0.47) L3MBTL1ATMALDH1A1MEN1MAPK1
SCHEMBL12023784 0.74 ALDH1A1 (1.00) L3MBTL1ATMALDH1A1MEN1MAPK1
SCHEMBL12024201 0.72 ALDH1A1 (0.86) L3MBTL1ATMALDH1A1MEN1MAPK1
SCHEMBL678459 0.70 NCOA1 (0.62) ALDH1A1NCOA1NCOA3GAA
SCHEMBL8095470 0.69 ALDH1A1 (0.72) L3MBTL1ATMALDH1A1MEN1MAPK1
SCHEMBL24314980 0.69 ALDH1A3 (0.58) MAPK1NPY5R
SCHEMBL30610970 0.69 ALDH1A3 (0.58) MAPK1NPY5R

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 11 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

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 L3MBTL1 4439/4885ATM 2979/4885ALDH1A1 3208/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 L3MBTL1 4439/4885ATM 2979/4885ALDH1A1 3208/4885

“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.