SCHEMBL678459

SCHEMBL678459

COc1cccc(C2=CC(=O)CCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
BRD4 O60885 3/20 0.48
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
GAA P10253 2/20 0.47
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
GALR1 P47211 1/20 0.43
EGFR P00533 1/20 0.43
DHODH Q02127 1/20 0.43
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
WDR5 P61964 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 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
SCHEMBL5001532 0.97 NCOA1 (0.59) NCOA1NCOA3BRD4HDAC4HDAC8
SCHEMBL22213562 0.83 EGFR (0.45) NCOA1NCOA3EGFRALDH1A1CYP1A1
SCHEMBL3961649 0.81 ALDH1A1 (0.57) BRD4ALDH1A1CYP1A2
SCHEMBL8178876 0.80 CHRNB4 (0.42) NCOA1NCOA3CLK4GALR1NOTUM
SCHEMBL1515073 0.79 GAA (0.54) BRD4HDAC4HDAC8GAADYRK1A
SCHEMBL5268060 0.77 NCOA1 (0.47) NCOA1NCOA3HDAC4HDAC8GAA
SCHEMBL9326151 0.77 PDE4B (0.52) ALDH1A1LMNA
SCHEMBL678820 0.77 HSD17B1 (0.44) NCOA1NCOA3GAACYP1A2CYP3A4
SCHEMBL7844830 0.75 DYRK1A (0.52) HDAC4HDAC8GAADYRK1ACLK4
SCHEMBL1257312 0.75 RAB9A (0.50) NCOA1NCOA3GAADYRK1ACLK4

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 20 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
EP-1427707-A1 SUBSTITUTED INDAZOLE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-06-16 EP disclosed
US-20030109550-A1 Substituted indazole compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-06-12 US disclosed
WO-2003035625-A1 SUBSTITUTED INDAZOLE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-05-01 WO disclosed
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed
US-4448991-A ANALGESICS HOFFMANN-LA ROCHE INC. (US) 1984-05-15 US disclosed
US-4336268-A Cyclohexene derivative analgesics HOFFMANN-LA ROCHE INC. (US) 1982-06-22 US disclosed
EP-0033156-A2 1-Phenyl-2-cyclohexene-1-alkylamine derivatives, process for their preparation and medicines containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-05 EP disclosed
US-3932429-A Novel azabicyclo octane derivative and process for preparing same TANABE SEIYAKU CO., LTD (JA) 1976-01-13 US 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 (3 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 NCOA1 4809/4885NCOA3 4524/4885BRD4 3224/4885
US-20030109550-A1 Substituted indazole compounds for the treatment of inflammation NFKBIA, IL1B, IDO1 NCOA1 262/4885NCOA3 130/4885BRD4 71/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 NCOA1 4809/4885NCOA3 4524/4885BRD4 3224/4885

“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.