SCHEMBL3086101

SCHEMBL3086101

CCCCC(C)CC(C)CC[O]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.38
DNM1 Q05193 2/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FDPS P14324 1/20 0.34
CA2 P00918 3/20 0.33
OPRM1 P35372 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CA1 P00915 3/20 0.32
SLC15A1 P46059 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL393691 0.90
SCHEMBL2504628 0.87 DNM1 (0.43) ACE2DNM1TSHRSMN1; SMN2FDPS
SCHEMBL236140 0.85 ACE2 (0.38) ACE2DNM1TSHRSMN1; SMN2FDPS
SCHEMBL530902 0.84 TSHR (0.43) TSHRTDP1
SCHEMBL979911 0.82 ACE2 (0.54) ACE2FDPSOPRM1CA1TP53
SCHEMBL4279140 0.81 TSHR (0.46) ACE2DNM1TSHRSMN1; SMN2FDPS
SCHEMBL4277175 0.81 OPRM1 (0.50) ACE2DNM1TSHRFDPSCA2
SCHEMBL236011 0.80 ACE2 (0.57) ACE2DNM1TSHRFDPSOPRM1
SCHEMBL5684482 0.80 ACE2 (0.57) ACE2DNM1TSHRFDPSOPRM1
SCHEMBL5687304 0.80 ACE2 (0.57) ACE2DNM1TSHRFDPSOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-7674816-B2 Substituted melatonin derivatives, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-03-09 US disclosed
EP-2125694-A2 DICARBONYL DERIVATIVES AND METHODS OF USE Abraxis BioScience, Inc. (US) 2009-12-02 EP disclosed
EP-1701718-A4 SUBSTITUTED MELATONIN DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE ABRAXIS BIOSCIENCE LLC (US) 2009-06-24 EP disclosed
EP-1976505-A1 COMBRETASTATIN DERIVATIVES AND RELATED THERAPEUTIC METHODS Abraxis BioScience, Inc. (US) 2008-10-08 EP disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
WO-2008064060-A2 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-05-29 WO disclosed
US-20070191463-A1 Substituted melatonin derivatives, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, INC. (CA) 2007-08-16 US disclosed
WO-2007059118-A1 COMBRETASTATIN DERIVATIVES AND RELATED THERAPEUTIC METHODS ABRAXIS BIOSCIENCE, INC. (US) 2007-05-24 WO disclosed
EP-0460950-B1 Radicicol derivatives, their preparation and their anti-tumour activity SANKYO CO (JP) 1997-03-05 EP disclosed
US-5597846-A ESTERS OF RADICICOL SANKYO COMPANY, LIMITED (JP) 1997-01-28 US disclosed
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 EP disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 WO disclosed
EP-0460950-A1 Radicicol derivatives, their preparation and their anti-tumour activity Sankyo Company Limited (JP) 1991-12-11 EP disclosed
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP 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-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD ACE2 3329/4885DNM1 2421/4885TSHR 4693/4885
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD ACE2 3329/4885DNM1 2421/4885TSHR 4693/4885
US-20070191463-A1 Substituted melatonin derivatives, process for their preparation, and methods of use MTNR1B, MTNR1A, CYP3A5 ACE2 2658/4885DNM1 2447/4885TSHR 429/4885

“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.