SCHEMBL782580

SCHEMBL782580

CCOC(=O)OC1=C(c2c(C)cccc2C)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
AVPR1A P37288 1/20 0.32
TYMS P04818 1/20 0.32
KCNH2 Q12809 2/20 0.32
MEN1 O00255 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS2 P35228 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL768851 0.91 KMT2A (0.33) ALDH1A1KMT2APOLBKCNH2MEN1
SCHEMBL782286 0.90 KMT2A (0.33) ALDH1A1KMT2AMEN1TP53L3MBTL1
SCHEMBL782392 0.89 HSD11B1 (0.33) ALDH1A1KMT2AMEN1TP53L3MBTL1
SCHEMBL782501 0.88 TSHR (0.33) ALDH1A1MAPTPOLBNOS2SIGMAR1
SCHEMBL782560 0.88 HSD11B1 (0.32) KMT2ATP53
SCHEMBL782227 0.86 KMT2A (0.30) KMT2A
SCHEMBL782396 0.86 HDAC3 (0.31) ALDH1A1KMT2A
SCHEMBL782427 0.86 KDM4E (0.44) ALDH1A1KMT2AMAPTPOLBMEN1
SCHEMBL782390 0.86 ALDH1A1 (0.40) ALDH1A1KMT2APOLBNOS2
SCHEMBL782417 0.85 TP53 (0.31) ALDH1A1KMT2ATP53L3MBTL1

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 5 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
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 ALDH1A1 23/4885KMT2A 4234/4885MAPT 4543/4885

“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.