SCHEMBL769586

SCHEMBL769586

CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.35
MDM2 Q00987 1/20 0.34
KMT2A Q03164 3/20 0.33
NPY5R Q15761 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
AVPR1A P37288 1/20 0.32
HTT P42858 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL782497 0.92 POLB (0.34) POLBMAPTMDM2KMT2ANPY5R
SCHEMBL782405 0.90 KMT2A (0.36) POLBMAPTKMT2AGAASMN1; SMN2
SCHEMBL782382 0.89 L3MBTL1 (0.34) KMT2ANPY5RALDH1A1HTTHDAC3
SCHEMBL782197 0.86 TSHR (0.37) POLBKMT2ANPY5RGAASMN1; SMN2
SCHEMBL782486 0.86 POLB (0.36) POLBMAPTKMT2ANPY5RALDH1A1
SCHEMBL782574 0.85 HDAC3 (0.31) KMT2ANPY5RHDAC3HDAC4HDAC1
SCHEMBL782538 0.85 SMN1; SMN2 (0.35) KMT2ANPY5RSMN1; SMN2ALDH1A1TSHR
SCHEMBL768851 0.85 KMT2A (0.33) POLBKMT2ANPY5RGAAALDH1A1
SCHEMBL782580 0.84 ALDH1A1 (0.33) POLBMAPTKMT2AALDH1A1AVPR1A
SCHEMBL782307 0.83 ALDH1A1 (0.36) POLBMAPTKMT2ANPY5RSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES DDT, DHFR, CYP1A1 POLB 4426/4885MAPT 4543/4885MDM2 2346/4885

“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.