SCHEMBL9901817

SCHEMBL9901817

CCCCC(CC)C(=O)Oc1cc(C)oc(=O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
XBP1 P17861 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA2 P00918 6/20 0.45
CA1 P00915 4/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.35
GLA P06280 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 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
SCHEMBL14329564 0.75 CA12 (0.59) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL26985478 0.75 L3MBTL1 (0.61) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17138161 0.75 L3MBTL1 (0.65) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL14286960 0.73 L3MBTL1 (0.53) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL2294906 0.73 L3MBTL1 (0.59) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL9902245 0.73 ALDH1A1 (0.58) GAACA1ALDH1A1KDM4EPOLB
Ammonia Solution, Strong SCHEMBL10503063 0.72 L3MBTL1 (0.58) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL8208789 0.72 L3MBTL1 (0.58) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL27314199 0.72 L3MBTL1 (0.65) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28776761 0.71 GAA (0.67) GAAXBP1ATMNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188592-B2 2-pyrones MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
US-10188592-B2 2-pyrones MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
EP-2648689-B1 2-PYRONES MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
EP-2648689-B1 2-PYRONES MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
US-20170014325-A1 2-PYRONES MERCK PATENT GMBH (DE) 2017-01-19 US disclosed
US-20170014325-A1 2-PYRONES MERCK PATENT GMBH (DE) 2017-01-19 US disclosed
US-20170014325-A1 2-PYRONES MERCK PATENT GMBH (DE) 2017-01-19 US disclosed
US-9499508-B2 2-pyrones MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-9499508-B2 2-pyrones MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
EP-2648689-A2 2-PYRONES Merck Patent GmbH (DE) 2013-10-16 EP disclosed
US-20130261175-A1 2-PYRONES MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
US-20130261175-A1 2-PYRONES MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
WO-2012076109-A2 2-PYRONES MERCK PATENT GMBH (DE) 2012-06-14 WO disclosed
WO-2012076109-A2 2-PYRONES MERCK PATENT GMBH (DE) 2012-06-14 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 (3 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-20170014325-A1 2-PYRONES PYCR1, CYP17A1, CYP11B2 GAA 2819/4885XBP1 1818/4885ATM 4673/4885
US-20130261175-A1 2-PYRONES PYCR1, CYP17A1, CYP11B2 GAA 2819/4885XBP1 1818/4885ATM 4673/4885
US-10188592-B2 2-pyrones PYCR1, CYP17A1, CYP11B2 GAA 2819/4885XBP1 1818/4885ATM 4673/4885

“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.