SCHEMBL782250

SCHEMBL782250

COc1c(Cl)cccc1C1=C(O)C2(CCN(OC)CC2)OC1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.34
NPY5R Q15761 4/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
TYK2 P29597 1/20 0.32
LMNA P02545 1/20 0.32
AR P10275 1/20 0.32
HCRTR1 O43613 8/20 0.32
HCRTR2 O43614 8/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL782235 0.89 NPY5R (0.38) SSTR5NPY5RNPC1RAB9ASIGMAR1
SCHEMBL782361 0.85 NPY5R (0.32) NPY5RHRH3LMNA
SCHEMBL782243 0.81 NPY5R (0.42) SSTR5NPY5RHRH3KDM4E
SCHEMBL782257 0.81 AVPR1A (0.39) NPY5RHRH3KDM4ELMNA
SCHEMBL782388 0.81 AVPR1A (0.34) NPY5RHRH3LMNA
SCHEMBL782595 0.81 PTGS2 (0.42) NPY5RNPC1PKMRAB9ALMNA
SCHEMBL782254 0.81 NPY5R (0.35) NPY5RHRH3LMNA
SCHEMBL782236 0.80 KMT2A (0.35) NPY5RKDM4ELMNA
SCHEMBL782385 0.80 THRB (0.37) SSTR5NPY5RLMNA
SCHEMBL782383 0.79 NPY5R (0.38) SSTR5NPY5RSIGMAR1

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 SSTR5 890/4885NPY5R 2496/4885HRH3 4447/4885

“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.