SCHEMBL13622353

SCHEMBL13622353

C#CCC(C(=O)OCC)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.39
PKM P14618 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
HTT P42858 1/20 0.35
PIN1 Q13526 1/20 0.34
MMP8 P22894 1/20 0.34
TRPA1 O75762 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
SCHEMBL17212019 0.83 MEN1 (0.41) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL379262 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL9748657 0.81 MMP8 (0.44) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL1313060 0.81 CYP4F2 (0.47) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL18541186 0.79 CYP4F2 (0.50) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL1315228 0.79 CYP4F2 (0.50) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL13780513 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL31265512 0.78 PKM (0.38) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL27861619 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL1026954 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1PKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 EP disclosed
US-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENE ALT (FR) 2012-12-06 US disclosed
US-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENE ALT (FR) 2012-12-06 US disclosed
US-7618999-B2 Process of obtaining taxosteroids and precursors thereof UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2009-11-17 US disclosed
US-7618999-B2 Process of obtaining taxosteroids and precursors thereof UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2009-11-17 US disclosed
US-20070185108-A1 PROCESS OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2007-08-09 US disclosed
US-20070185108-A1 PROCESS OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2007-08-09 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 (2 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-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS MMP3, MMP11, TIMP3 MEN1 1234/4885KMT2A 3532/4885ALDH1A1 2288/4885
US-20070185108-A1 PROCESS OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF CYP11B1, CYP11B2, HSD3B2 MEN1 2734/4885KMT2A 4065/4885ALDH1A1 1147/4885

“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.