SCHEMBL782228

SCHEMBL782228

CON1CCC2(CC1)OC(=O)C(c1ccc(C)cc1C)=C2O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
AVPR1A P37288 7/20 0.36
MAPT P10636 1/20 0.35
HTR2C P28335 1/20 0.34
NPY5R Q15761 2/20 0.34
LMNA P02545 2/20 0.32
PDE4A P27815 1/20 0.31
HSD11B1 P28845 1/20 0.31
THRB P10828 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.30
HRH3 Q9Y5N1 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 0.91 POLB (0.39) POLBAVPR1AMAPTNPY5RHSD11B1
SCHEMBL782490 0.89 AVPR1A (0.35) AVPR1AMAPTNPY5RLMNAPDE4A
SCHEMBL782385 0.89 THRB (0.37) POLBAVPR1AMAPTHTR2CNPY5R
SCHEMBL769642 0.87 AVPR1A (0.32) AVPR1ANPY5RLMNATHRB
SCHEMBL782356 0.86 MAPT (0.37) POLBAVPR1AMAPTNPY5RLMNA
SCHEMBL782272 0.85 AVPR1A (0.34) POLBAVPR1AMAPTHTR2CNPY5R
SCHEMBL769216 0.84 TSHR (0.34) POLBMAPTLMNATHRB
SCHEMBL782610 0.83 EDNRA (0.39) POLBAVPR1ANPY5RLMNAHSD11B1
SCHEMBL782409 0.83 POLB (0.30) POLB
SCHEMBL782480 0.83 TSHR (0.30)

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 POLB 4426/4885AVPR1A 1446/4885MAPT 4543/4885

“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.