SCHEMBL782272

SCHEMBL782272

CCc1ccc(C)cc1C1=C(O)C2(CCN(OC)CC2)OC1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.34
POLB P06746 1/20 0.33
NPY5R Q15761 2/20 0.32
SSTR5 P35346 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.30
HTR2C P28335 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL768905 0.88 POLB (0.39) AVPR1APOLBNPY5RMAPTPTGS1
SCHEMBL782356 0.86 MAPT (0.37) AVPR1APOLBNPY5RSSTR5MAPT
SCHEMBL782228 0.85 POLB (0.36) AVPR1APOLBNPY5RMAPTPTGS1
SCHEMBL782385 0.83 THRB (0.37) AVPR1APOLBNPY5RSSTR5MAPT
SCHEMBL782623 0.81 LMNA (0.36) POLBSSTR5HTR2C
SCHEMBL782613 0.80 TSHR (0.31)
SCHEMBL782610 0.80 EDNRA (0.39) AVPR1APOLBNPY5RPTGS1PTGS2
SCHEMBL769642 0.79 AVPR1A (0.32) AVPR1ANPY5R
SCHEMBL782254 0.77 NPY5R (0.35) AVPR1ANPY5RMAPTHTR2C
SCHEMBL769216 0.77 TSHR (0.34) POLBMAPTKDM4E

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 AVPR1A 1446/4885POLB 4426/4885NPY5R 2496/4885

“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.