SCHEMBL678779

SCHEMBL678779

CC1(C)CC(=O)C=C(Br)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
APEX1 P27695 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL22522 0.73 ALDH1A1 (0.52) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7102666 0.73 ALDH1A1 (0.52) ALDH1A1MAPTHPGDMEN1KMT2A
Ammonia Solution, Strong SCHEMBL10613596 0.71 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11132973 0.71 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL1515964 0.71 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL271129 0.71 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL2241228 0.71 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
Water SCHEMBL9637163 0.71 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
Ammonia Solution, Strong SCHEMBL7735826 0.71 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
Ammonia Solution, Strong SCHEMBL1984334 0.71 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A

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 5 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-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
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 ALDH1A1 3208/4885MAPT 4872/4885HPGD 279/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 ALDH1A1 3208/4885MAPT 4872/4885HPGD 279/4885

“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.