SCHEMBL782307

SCHEMBL782307

CCOC(=O)OC1=C(c2ccccc2F)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
NPY5R Q15761 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
ALOX5 P09917 1/20 0.34
CHRM3 P20309 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
PDK2 Q15119 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL782306 0.88 TSHR (0.38) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR
SCHEMBL782427 0.85 KDM4E (0.44) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR
SCHEMBL782423 0.85 OPRM1 (0.36) ALDH1A1SMN1; SMN2NPY5RL3MBTL1MAPT
SCHEMBL782382 0.84 L3MBTL1 (0.34) ALDH1A1NPY5RL3MBTL1KMT2ATP53
SCHEMBL782497 0.83 POLB (0.34) ALDH1A1KDM4EPOLBSMN1; SMN2NPY5R
SCHEMBL769586 0.83 POLB (0.36) ALDH1A1POLBSMN1; SMN2TSHRNPY5R
SCHEMBL782428 0.83 KDM4E (0.35) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR
SCHEMBL782580 0.82 ALDH1A1 (0.33) ALDH1A1POLBL3MBTL1MAPTMEN1
SCHEMBL782498 0.82 HTT (0.38) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR
SCHEMBL782405 0.82 KMT2A (0.36) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR

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 23/4885KDM4E 3621/4885POLB 4426/4885

“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.