SCHEMBL761495

SCHEMBL761495

C=CCOC(=O)C#CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
SNCA P37840 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL761496 0.91 CYP3A4 (0.43) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9811267 0.81 TSHR (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9865407 0.81 TSHR (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL2843185 0.78
SCHEMBL9865572 0.77 CYP3A4 (0.37) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL13861279 0.75 TSHR (0.42) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9865182 0.75 CYP3A4 (0.49) CYP3A4TSHRMAPTALDH1A1HSD17B10
SCHEMBL9543820 0.75
SCHEMBL9413861 0.75
SCHEMBL175470 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105358136-B Supermolecule magnetic nano-particle 加利福尼亚大学董事会 2018-11-13 CN disclosed
CN-105358136-A Supramolecular magnetic nanoparticles UNIV CALIFORNIA 2016-02-24 CN disclosed
EP-1642932-B1 CURING COMPOSITION KANEKA CORP (JP) 2012-03-21 EP disclosed
EP-1277804-B1 CURABLE COMPOSITIONS KANEKA CORP (JP) 2011-08-17 EP disclosed
EP-1961786-B1 CURABLE COMPOSITION FOR DAMPING MATERIAL AND DAMPING MATERIAL KANEKA CORP (JP) 2011-04-06 EP disclosed
US-20090292075-A1 CURABLE COMPOSITION FOR DAMPING MATERIAL AND DAMPING MATERIAL KANEKA CORPORATION (JP) 2009-11-26 US disclosed
US-20080234426-A1 Curable Composition and Cured Object Thereof KANEKA CORPORATION (JP) 2008-09-25 US disclosed
EP-1961786-A1 CURABLE COMPOSITION FOR DAMPING MATERIAL AND DAMPING MATERIAL Kaneka Corporation (JP) 2008-08-27 EP disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20070276066-A1 Curing Composition KANEKA CORPORATION (JP) 2007-11-29 US disclosed
EP-1526155-A1 MOLD-RELEASABLE CURABLE COMPOSITION KANEKA CORPORATION (JP) 2005-04-27 EP disclosed
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2005-01-13 US disclosed
US-20030166795-A1 Curable compositions KANEKA CORPORATION (JP) 2003-09-04 US disclosed
EP-1277804-A1 CURABLE COMPOSITIONS KANEKA CORPORATION (JP) 2003-01-22 EP disclosed
US-5066825-A Antilipemic agents TANABE SEIYAKU CO., LTD. (JP) 1991-11-19 US disclosed
EP-0379935-A1 A process for preparing naphthalene derivatives TANABE SEIYAKU CO., LTD. (JP) 1990-08-01 EP disclosed
EP-0371484-A2 A process for preparing a naphthalene derivative TANABE SEIYAKU CO., LTD. (JP) 1990-06-06 EP disclosed
US-4558069-A TREATMENT OF SKIN DISORDERS GROUPEMENT D'INTERET ECONOMIQUE DIT: CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1985-12-10 US disclosed
US-4464301-A FOR TREATMENT OF PSORIASIS GROUPEMENT D'INTERET ECONOMIQUE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1984-08-07 US disclosed
US-4207318-A ANTIALLERGIC ACTIVITY, BRONCHODILATOR ROUSSEL UCLAF (FR) 1980-06-10 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 (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-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 CYP3A4 1062/4885TSHR 532/4885MAPT 3744/4885
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors KDR, MUSK, FLT4 CYP3A4 1055/4885TSHR 517/4885MAPT 3719/4885

“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.