SCHEMBL4553004

SCHEMBL4553004

CCOC(=O)CCCOc1cc2c(cc1OC)CCC2=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.64
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
TNF P01375 9/20 0.46
KCNK3 O14649 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL12937753 0.88 BRD4 (0.67) BRD4ALDH1A1KDM4EKMT2APDE4A
SCHEMBL4460099 0.86 BRD4 (0.64) BRD4ALDH1A1KDM4EKMT2APDE4A
SCHEMBL4447367 0.86 BRD4 (0.64) BRD4ALDH1A1KDM4EKMT2APDE4A
SCHEMBL4460421 0.81 BRD4 (0.58) BRD4ALDH1A1KMT2APDE4APDE4B
SCHEMBL3081962 0.81 KMT2A (0.42) BRD4ALDH1A1KDM4EKMT2AGAA
SCHEMBL9322233 0.79 KMT2A (0.47) ALDH1A1KDM4EKMT2AGAA
SCHEMBL4458626 0.79 BRD4 (0.58) BRD4ALDH1A1PDE4APDE4BPDE4C
SCHEMBL24650410 0.78 PDE4B (0.53) BRD4ALDH1A1KDM4EKMT2APDE4A
SCHEMBL22815609 0.78 BRD4 (0.82) BRD4ALDH1A1GAA
SCHEMBL3970718 0.78 KMT2A (0.44) ALDH1A1KDM4EKMT2APDE4AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-8247563-B2 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one ; for therapy of Alzheimer's disease, myasthenia gravis, Huntingtons disease or glaucoma REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247563-B2 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one ; for therapy of Alzheimer's disease, myasthenia gravis, Huntingtons disease or glaucoma REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247563-B2 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one ; for therapy of Alzheimer's disease, myasthenia gravis, Huntingtons disease or glaucoma REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
EP-2114166-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS Reviva Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
WO-2008073452-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
WO-2008073452-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2008-06-19 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-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors ACHE, BCHE, CHKA BRD4 1094/4885ALDH1A1 595/4885KDM4E 447/4885
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS ACHE, BCHE, CHKA BRD4 1094/4885ALDH1A1 595/4885KDM4E 447/4885

“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.