SCHEMBL4751

SCHEMBL4751

CC(=O)C1CC1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.61
ALDH1A1 P00352 2/20 0.59
SLC9A1 P19634 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 1/20 0.53
FFAR1 O14842 1/20 0.51
DEGS1 O15121 1/20 0.51
HRH3 Q9Y5N1 3/20 0.51
NAMPT P43490 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL15030617 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL8083082 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL4752 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL13693410 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL13920783 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL13301231 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL6997217 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL14094837 1.00 HDAC4 (0.61) HDAC4ALDH1A1SLC9A1SMN1; SMN2MAPK1
SCHEMBL8295172 0.83 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1SMN1; SMN2HPGD
SCHEMBL4126470 0.83 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity ABBVIE INC. 2005-02-17 US disclosed
CN-1168704-C Aryl and heteroaryl cyclopropyl oximidoether and its application as bactericide and pesticide 陶氏益农有限责任公司 2004-09-29 CN disclosed
WO-2004018462-A1 QUINAZOLINONE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-03-04 WO disclosed
CN-1479718-A Aryl and heteroarylcyclopropyl oximie ethers and their use as fungicides 美国陶氏益农公司 2004-03-03 CN disclosed
CN-1262269-A Aryl and heteroaryl cyclopropyl oximidoether and its application as bactericide and pesticide ROHM & HAAS (US) 2000-08-09 CN disclosed
US-5175183-A Antiinflammatory agents, respiratory system disorders ABBOTT LABORATORIES (US) 1992-12-29 US disclosed
EP-0456760-A4 LIPOXYGENASE INHIBITING COMPOUNDS 1992-01-08 EP disclosed
EP-0456760-A1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1991-11-21 EP disclosed
WO-1990008545-A1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-08-09 WO disclosed
US-4328363-A Manufacture of gamma halogen substituted adducts MOBIL OIL CORPORATION (US) 1982-05-04 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 HDAC4 808/4885ALDH1A1 3267/4885SLC9A1 226/4885
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity PRKAG1, PRKAG3, PRKAG2 HDAC4 666/4885ALDH1A1 944/4885SLC9A1 4746/4885
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 HDAC4 665/4885ALDH1A1 3212/4885SLC9A1 3611/4885

“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.