SCHEMBL782390

SCHEMBL782390

CCOC(=O)OC1=C(c2c(Cl)cccc2OC)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.38
TSHR P16473 4/20 0.36
HPGD P15428 1/20 0.36
APP P05067 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NOS2 P35228 1/20 0.35
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL782427 0.89 KDM4E (0.44) ALDH1A1POLBPKMTSHRHPGD
SCHEMBL782580 0.86 ALDH1A1 (0.33) ALDH1A1POLBNOS2KMT2A
SCHEMBL782306 0.85 TSHR (0.38) ALDH1A1POLBPKMTSHRHPGD
SCHEMBL782501 0.85 TSHR (0.33) ALDH1A1POLBPKMHTTTSHR
SCHEMBL782286 0.84 KMT2A (0.33) ALDH1A1HTTTSHRSMN1; SMN2KMT2A
SCHEMBL13081170 0.84 KMT2A (0.35) ALDH1A1POLBPKMHTTTSHR
SCHEMBL782395 0.84 CUL4A (0.33) ALDH1A1POLBPKMHTTTSHR
SCHEMBL782586 0.83 CRHR1 (0.34) ALDH1A1POLBPKMTSHRHPGD
SCHEMBL782428 0.82 KDM4E (0.35) ALDH1A1POLBPKMTSHRKDM4E
SCHEMBL782391 0.82 KCNH2 (0.38) ALDH1A1KDM4EKMT2A

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
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 23/4885POLB 4426/4885PKM 3719/4885

“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.