SCHEMBL782373

SCHEMBL782373

CON1CCC2(CC1)OC(=O)C(c1cccc(Cl)c1)=C2O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.39
SLC6A3 Q01959 4/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
GSK3B P49841 3/20 0.35
GSK3A P49840 1/20 0.35
DRD2 P14416 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSD11B1 P28845 1/20 0.34
EGFR P00533 1/20 0.34
PGR P06401 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 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
SCHEMBL782477 0.89 NPY5R (0.31) NPY5R
SCHEMBL782600 0.87 EDNRA (0.40) NPY5RSMN1; SMN2HSD11B1
SCHEMBL782401 0.86 EDNRA (0.43) SLC6A3SMN1; SMN2ALDH1A1MAPTSLC6A2
SCHEMBL782479 0.83 NPY5R (0.41) NPY5RCYP1A2MAPT
SCHEMBL782237 0.83 CHEK1 (0.38) ALDH1A1MAPT
SCHEMBL782595 0.83 PTGS2 (0.42) NPY5RSLC6A3CYP1A2GSK3BGSK3A
SCHEMBL782361 0.82 NPY5R (0.32) NPY5RHSD11B1ALDH1A1MAPT
SCHEMBL782490 0.82 AVPR1A (0.35) NPY5RHSD11B1ALDH1A1MAPT
SCHEMBL782249 0.81 CYP19A1 (0.45) GSK3BSMN1; SMN2ALDH1A1MAPT
SCHEMBL782472 0.81 LMNA (0.32) ALDH1A1MAPT

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
WO-2012069008-A1 3-SUBSTITUTED SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO 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 NPY5R 2496/4885SLC6A3 1732/4885HSP90AA1 1584/4885

“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.