SCHEMBL3097828

SCHEMBL3097828

CCCCC(CC)C(C)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.39
CA2 P00918 5/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27938971 0.91 LMNA (0.52) ALDH1A1LMNATSHRCYP3A4CYP2D6
SCHEMBL1614491 0.88 ALDH1A1 (0.46) ALDH1A1LMNATSHRCA2MAPK1
SCHEMBL3093582 0.85 LMNA (0.52) ALDH1A1LMNATSHRTDP1
SCHEMBL9111527 0.82 ALDH1A1 (0.39) ALDH1A1LMNATSHRCA2MAPK1
SCHEMBL11817761 0.82 ALDH1A1 (0.46) ALDH1A1LMNATSHRCA2MAPK1
SCHEMBL18922373 0.81 LMNA (0.56) ALDH1A1LMNATSHRCYP3A4CYP2D6
SCHEMBL19245744 0.81 LMNA (0.56) ALDH1A1LMNATSHRCYP3A4CYP2D6
SCHEMBL21879679 0.81 LMNA (0.50) ALDH1A1LMNATSHRCA1CYP3A4
SCHEMBL18935523 0.81 LMNA (0.56) ALDH1A1LMNATSHRCYP3A4CYP2D6
SCHEMBL19174190 0.81 LMNA (0.56) ALDH1A1LMNATSHRCYP3A4CYP2D6

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
WO-2017156179-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
US-20160201093-A1 Process for the Bioconversion of C3-C13 Alkanes to C3-C13 Primary Alcohols BASF SE (DE) 2016-07-14 US disclosed
EP-3027760-A1 PROCESS FOR THE BIOCONVERSION OF C3-C13 ALKANES TO C3-C 13 PRIMARY ALCOHOLS BASF SE (DE) 2016-06-08 EP disclosed
WO-2015014644-A1 PROCESS FOR THE BIOCONVERSION OF C3-C13 ALKANES TO C3-C 13 PRIMARY ALCOHOLS BASF SE (DE) 2015-02-05 WO disclosed
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
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 (1 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-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD ALDH1A1 1688/4885LMNA 2382/4885TSHR 4693/4885

“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.