SCHEMBL782405

SCHEMBL782405

CCOC(=O)OC1=C(c2cc(C)ccc2OC)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
POLB P06746 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 5/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.33
EDNRA P25101 1/20 0.33
TYMS P04818 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL769586 0.90 POLB (0.36) KMT2APOLBSMN1; SMN2GAAMAPT
SCHEMBL782497 0.89 POLB (0.34) KMT2APOLBSMN1; SMN2GAATP53
SCHEMBL782382 0.83 L3MBTL1 (0.34) KMT2ATP53ALDH1A1L3MBTL1HTT
SCHEMBL782586 0.83 CRHR1 (0.34) POLBTP53MAPTALDH1A1PKM
SCHEMBL782356 0.82 MAPT (0.37) KMT2APOLBGAATP53MAPT
SCHEMBL782306 0.82 TSHR (0.38) KMT2APOLBSMN1; SMN2GAAMAPT
SCHEMBL782307 0.82 ALDH1A1 (0.36) KMT2APOLBSMN1; SMN2TP53MAPT
SCHEMBL768851 0.81 KMT2A (0.33) KMT2APOLBGAATP53ALDH1A1
SCHEMBL782498 0.81 HTT (0.38) KMT2APOLBSMN1; SMN2GAATP53
SCHEMBL782390 0.81 ALDH1A1 (0.40) KMT2APOLBSMN1; SMN2GAAALDH1A1

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 KMT2A 4234/4885POLB 4426/4885SMN1; SMN2 2021/4885

“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.