SCHEMBL173945

SCHEMBL173945

CCOC(=O)C1CCC(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL28811853 0.87 POLB (0.38) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL28464765 0.85 KMT2A (0.54) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL5789642 0.84 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL5789645 0.84 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL1296762 0.83 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL1932287 0.83 NR1H2 (0.41) ALDH1A1KMT2A
SCHEMBL31075120 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL5793678 0.80 KMT2A (0.49) ALDH1A1MEN1KMT2ATSHRCYP2C9
SCHEMBL174440 0.80 KMT2A (0.49) ALDH1A1MEN1KMT2ATSHRCYP2C9
SCHEMBL1001602 0.80 NR1H2 (0.37) ALDH1A1MEN1KMT2ATSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 CN disclosed
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 WO disclosed
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 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 (4 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR ALDH1A1 4261/4885MEN1 948/4885KMT2A 1587/4885
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 ALDH1A1 369/4885MEN1 2803/4885KMT2A 2187/4885
US-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 ALDH1A1 4081/4885MEN1 1850/4885KMT2A 1485/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 ALDH1A1 4083/4885MEN1 1850/4885KMT2A 1483/4885

“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.