SCHEMBL782179

SCHEMBL782179

CCOC(=O)OC1=C(c2ccc(OC)cc2)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPK1 P28482 1/20 0.40
MPI P34949 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EDNRA P25101 4/20 0.40
EDNRB P24530 1/20 0.40

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
SCHEMBL782423 0.90 OPRM1 (0.36) MAPTALDH1A1TDP1LMNAHTT
SCHEMBL782580 0.83 ALDH1A1 (0.33) MAPTALDH1A1MEN1TP53KMT2A
SCHEMBL782391 0.83 KCNH2 (0.38) MAPTALDH1A1KDM4EMEN1HSP90AA1
SCHEMBL782307 0.81 ALDH1A1 (0.36) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL782306 0.81 TSHR (0.38) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL782390 0.81 ALDH1A1 (0.40) ALDH1A1TDP1LMNAHTTKDM4E
SCHEMBL782405 0.81 KMT2A (0.36) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL768851 0.80 KMT2A (0.33) ALDH1A1MEN1TP53MAPK1KMT2A
SCHEMBL782382 0.80 L3MBTL1 (0.34) ALDH1A1HTTTP53KMT2AL3MBTL1
SCHEMBL769586 0.80 POLB (0.36) MAPTALDH1A1HTTMEN1KMT2A

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 4 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-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

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 MAPT 4543/4885ALDH1A1 23/4885TDP1 896/4885

“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.