SCHEMBL2915795

SCHEMBL2915795

C=CC(C)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.43
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MMP8 P22894 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL13112959 0.90 HCAR2 (0.41) PKMCYP4F2CYP4A11ALDH1A1HCAR2
SCHEMBL9040519 0.84 PKM (0.48) PKMCYP4F2CYP4A11ALDH1A1HCAR2
SCHEMBL2918118 0.83 PKM (0.41) PKMCYP4F2CYP4A11ALDH1A1MMP8
SCHEMBL2918114 0.83 PKM (0.41) PKMCYP4F2CYP4A11ALDH1A1MMP8
SCHEMBL79003 0.82 PKM (0.43) PKMCYP4F2CYP4A11ALDH1A1HCAR2
SCHEMBL3135439 0.80 PKM (0.42) PKMCYP4F2CYP4A11ALDH1A1HCAR2
SCHEMBL2914630 0.80 PKM (0.42) PKMCYP4F2CYP4A11ALDH1A1HCAR2
SCHEMBL2917530 0.80 PKM (0.42) PKMCYP4F2CYP4A11ALDH1A1HCAR2
SCHEMBL26295367 0.79 MGAM (0.44) PKMCYP4F2CYP4A11ALDH1A1HCAR2
SCHEMBL3127139 0.78 PKM (0.41) PKMCYP4F2CYP4A11ALDH1A1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225382-B1 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2016-11-09 EP disclosed
US-20150147800-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2015-05-28 US disclosed
US-8951750-B2 Malonate decarboxylases for industrial applications BASF SE (DE) 2015-02-10 US disclosed
EP-2565273-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2013-03-06 EP disclosed
EP-2565274-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2013-03-06 EP disclosed
US-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-12-09 US disclosed
EP-2225382-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-09-08 EP disclosed
WO-2009068308-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2009-06-04 WO disclosed
EP-0433024-B1 Colour recording medium containing leuco dye FUJI PHOTO FILM CO LTD (JP) 1994-09-21 EP disclosed
EP-0433024-A1 Colour recording medium containing leuco dye FUJI PHOTO FILM CO., LTD. (JP) 1991-06-19 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-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS ME1, AMD1, GMDS PKM 617/4885CYP4F2 2388/4885CYP4A11 2643/4885

“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.