SCHEMBL10031336

SCHEMBL10031336

CCOC(=O)C(C)(CCCCO)C(=O)OCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.70
CYP4A11 Q02928 4/20 0.70
PKM P14618 3/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.44
MMP8 P22894 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.39
AMPD3 Q01432 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL28134678 0.98 CYP4F2 (0.67) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL10001106 0.91 CYP4F2 (0.64) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL6067652 0.86 MEN1 (0.54) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL13662689 0.85 CYP4F2 (0.55) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL25189076 0.84 MEN1 (0.57) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL4100758 0.84 CYP4F2 (0.96) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL14502372 0.84 MEN1 (0.57) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL7510917 0.84 MEN1 (0.57) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL10631549 0.84 MEN1 (0.57) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL7508348 0.84 MEN1 (0.57) CYP4F2CYP4A11PKMTHRBHTT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029223-A1 METHOD FOR PRODUCTION OF SUBSTITUTED ALKYL MALONIC ESTERS AND DERIVATIVES THEREOF APOSENSE LTD. (IL) 2012-02-02 US disclosed
US-20110257434-A1 PERTURBED MEMBRANE-BINDING COMPOUNDS AND METHODS OF USING THE SAME APOSENSE LTD. (IL) 2011-10-20 US disclosed
US-20110257434-A1 PERTURBED MEMBRANE-BINDING COMPOUNDS AND METHODS OF USING THE SAME APOSENSE LTD. (IL) 2011-10-20 US disclosed
US-7947253-B2 compounds such as 2-methyl-2(3-fluoropropyl)-malonic Acid that selectively bind to cells undergoing perturbations and alterations of their normal plasma membrane organization, i.e., cells undergoing cell death, apoptotic cells or activated platelets APOSENSE LTD. (IL) 2011-05-24 US disclosed
US-7947253-B2 compounds such as 2-methyl-2(3-fluoropropyl)-malonic Acid that selectively bind to cells undergoing perturbations and alterations of their normal plasma membrane organization, i.e., cells undergoing cell death, apoptotic cells or activated platelets APOSENSE LTD. (IL) 2011-05-24 US disclosed
US-7670590-B2 Perturbed membrane-binding compounds and methods of using the same APOSENSE LTD. (IL) 2010-03-02 US disclosed
US-7670590-B2 Perturbed membrane-binding compounds and methods of using the same APOSENSE LTD. (IL) 2010-03-02 US disclosed
US-20100035296-A1 COMPOUNDS AND METHODS FOR DETECTION OF CELLS APOSENSE LTD. (IL) 2010-02-11 US disclosed
US-20080279774-A1 Perturbed Membrane-Binding Compounds And Methods Of Using The Same NST NEUOROSURIVAL TECHNOLOGIES LTD. (IL) 2008-11-13 US disclosed
US-20080279774-A1 Perturbed Membrane-Binding Compounds And Methods Of Using The Same NST NEUOROSURIVAL TECHNOLOGIES LTD. (IL) 2008-11-13 US disclosed
WO-2008081447-A2 COMPOUNDS AND METHODS FOR DETECTION OF CELLS APOSENSE LTD. (IL) 2008-07-10 WO disclosed
US-20080014148-A1 Perturbed membrane-binding compounds and methods of using the same APOSENSE LTD. (IL) 2008-01-17 US disclosed
US-20080014148-A1 Perturbed membrane-binding compounds and methods of using the same APOSENSE LTD. (IL) 2008-01-17 US disclosed
US-7270799-B2 Perturbed membrane-binding compounds and methods of using the same NST NEUROSURVIVAL TECHNOLOGIES LTD. (IL) 2007-09-18 US disclosed
US-7270799-B2 Perturbed membrane-binding compounds and methods of using the same NST NEUROSURVIVAL TECHNOLOGIES LTD. (IL) 2007-09-18 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 (5 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-20100035296-A1 COMPOUNDS AND METHODS FOR DETECTION OF CELLS CASP3, BAX, BAD CYP4F2 3199/4885CYP4A11 2901/4885PKM 1410/4885
US-20120029223-A1 METHOD FOR PRODUCTION OF SUBSTITUTED ALKYL MALONIC ESTERS AND DERIVATIVES THEREOF ME1, MAL2, ME3 CYP4F2 854/4885CYP4A11 866/4885PKM 555/4885
US-20110257434-A1 PERTURBED MEMBRANE-BINDING COMPOUNDS AND METHODS OF USING THE SAME ANXA5, SELPLG, ANXA6 CYP4F2 4506/4885CYP4A11 4794/4885PKM 2112/4885
US-20080014148-A1 Perturbed membrane-binding compounds and methods of using the same ANXA5, SELPLG, ANXA6 CYP4F2 4224/4885CYP4A11 4638/4885PKM 2161/4885
US-20080279774-A1 Perturbed Membrane-Binding Compounds And Methods Of Using The Same ANXA5, SELPLG, ANXA6 CYP4F2 4224/4885CYP4A11 4638/4885PKM 2161/4885

“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.