SCHEMBL782586

SCHEMBL782586

CCOC(=O)OC1=C(c2c(C)cc(C)cc2OC)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.34
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ELANE P08246 1/20 0.31
CNR2 P34972 1/20 0.31
HPGD P15428 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL768851 0.93 KMT2A (0.33) POLBALDH1A1TP53
SCHEMBL782541 0.90 KMT2A (0.31)
SCHEMBL782336 0.87 KCNH2 (0.31) TSHRALDH1A1CYP3A4TP53
SCHEMBL782286 0.86 KMT2A (0.33) TSHRALDH1A1TP53
SCHEMBL782417 0.86 TP53 (0.31) ALDH1A1TP53
SCHEMBL782555 0.86
SCHEMBL782392 0.85 HSD11B1 (0.33) ALDH1A1TP53
SCHEMBL782511 0.85 HDAC3 (0.33) POLBALDH1A1TP53
SCHEMBL782580 0.84 ALDH1A1 (0.33) POLBALDH1A1TP53MAPT
SCHEMBL13081170 0.84 KMT2A (0.35) POLBTSHRALDH1A1KDM4EMAPT

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 CRHR1 2216/4885POLB 4426/4885TSHR 107/4885

“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.