SCHEMBL769209

SCHEMBL769209

CCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OC)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
OPRM1 P35372 7/20 0.34
OPRD1 P41143 4/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
OPRK1 P41145 3/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL782117 0.91 MEN1 (0.37) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL782644 0.88 L3MBTL1 (0.34) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL769203 0.87 MEN1 (0.32) MEN1KMT2AMAPK1
SCHEMBL21553359 0.85 NLRP3 (0.36) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL782276 0.85 HDAC3 (0.35) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL782509 0.84 RAB9A (0.32)
SCHEMBL5485798 0.84 NLRP3 (0.35) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL782518 0.84 L3MBTL1 (0.40) MEN1KMT2AL3MBTL1OPRM1OPRD1
SCHEMBL8578003 0.84 MEN1 (0.32) MEN1KMT2AMAPK1L3MBTL1OPRM1
SCHEMBL769717 0.83 SMN1; SMN2 (0.40) MEN1KMT2AL3MBTL1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432785-B1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-10-15 EP disclosed
US-8592610-B2 Spiroheterocyclic tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-26 US disclosed
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-8318956-B2 Spiroheterocyclic tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-11-27 US disclosed
US-8318956-B2 Spiroheterocyclic tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-11-27 US disclosed
WO-2012069008-A1 3-SUBSTITUTED SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
WO-2010135914-A1 NEW SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO disclosed
WO-2010135914-A1 NEW SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO disclosed
WO-2010133337-A1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-25 US disclosed
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-25 US disclosed
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-25 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 (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-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives DDT, PTPRG, WIZ MEN1 4277/4885KMT2A 3670/4885MAPK1 955/4885
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives DDT, PTPRG, WIZ MEN1 4277/4885KMT2A 3670/4885MAPK1 955/4885
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES DDT, DHFR, CYP1A1 MEN1 1302/4885KMT2A 4234/4885MAPK1 3408/4885

“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.