SCHEMBL18770547

SCHEMBL18770547

CCOC(=O)CCCC(C(C)=O)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMYD3 Q9H7B4 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
SCHEMBL22587290 0.89 CYP1A2 (0.50) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL28576167 0.89 L3MBTL1 (0.49) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL1406699 0.89 CYP1A2 (0.53) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL28022588 0.86 CYP1A2 (0.50) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL7369566 0.83 CYP1A2 (0.41) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL4800391 0.83 KMT2A (0.50) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL11614940 0.83 KMT2A (0.50) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL11121706 0.82 TSHR (0.50) KMT2AL3MBTL1GAAMGAMSI
SCHEMBL3819477 0.82 CYP1A2 (0.50) CYP1A2KMT2APOLBGAANR1I2
SCHEMBL3826148 0.82 CYP1A2 (0.50) CYP1A2KMT2APOLBGAANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473439-B Pyrazolone derivatives as nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-03-15 CN disclosed
US-10723704-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2018-11-08 US disclosed
EP-3365328-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2018-08-29 EP disclosed
WO-2017070081-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-27 WO 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-10723704-B2 Pyrazolone derivatives as nitroxyl donors TNNI3, PFKP, NOX5 CYP1A2 670/4885KMT2A 4665/4885POLB 3091/4885
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 CYP1A2 670/4885KMT2A 4665/4885POLB 3091/4885

“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.