SCHEMBL3100472

SCHEMBL3100472

CCCC(CC)CC(CC)CC[O]

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL497448 0.89
SCHEMBL4279899 0.86 ALDH1A1 (0.39) CA2CA12CA1CA7CA14
SCHEMBL1405019 0.83 ALDH1A1 (0.38) CA2CA12CA1CA7CA14
SCHEMBL4270236 0.83 ALDH1A1 (0.38) CA2CA12CA1CA7CA14
SCHEMBL28579720 0.83 CA12 (0.37) CA2CA12CA1CA7CA14
SCHEMBL497519 0.80
SCHEMBL29134264 0.77 ALDH1A1 (0.38) CA2CA12CA1CA7CA14
SCHEMBL4268477 0.76 ALDH1A1 (0.56) CA2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL23045214 0.75 TSHR (0.33) CA2CA12CA1CA7CA14
SCHEMBL98862 0.75

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 CA2 1127/4885CA12 754/4885CA1 2297/4885
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD CA2 1127/4885CA12 754/4885CA1 2297/4885
US-20070191463-A1 Substituted melatonin derivatives, process for their preparation, and methods of use MTNR1B, MTNR1A, CYP3A5 CA2 2602/4885CA12 3295/4885CA1 2945/4885

“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.