SCHEMBL3104073

SCHEMBL3104073

CCCCC(CC)CCCCCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
LMNA P02545 4/20 0.56
TSHR P16473 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 1/20 0.55
CA2 P00918 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 3/20 0.48
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
BCL2L1 Q07817 2/20 0.39

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
SCHEMBL589811 1.00 ALDH1A1 (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3880861 1.00 ALDH1A1 (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3100332 1.00 ALDH1A1 (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL6444925 0.98 ALDH1A1 (0.65) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL7548099 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL728982 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3084649 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL7209399 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL11607424 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL9407934 0.95 LMNA (0.62) ALDH1A1LMNATSHRMEN1KMT2A

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 25 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 ALDH1A1 1688/4885LMNA 2382/4885TSHR 4693/4885
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD ALDH1A1 1688/4885LMNA 2382/4885TSHR 4693/4885
US-20070191463-A1 Substituted melatonin derivatives, process for their preparation, and methods of use MTNR1B, MTNR1A, CYP3A5 ALDH1A1 892/4885LMNA 1448/4885TSHR 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.