SCHEMBL782486

SCHEMBL782486

CON1CCC2(CC1)OC(=O)C(c1cc(C)ccc1C)=C2OC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
AVPR1A P37288 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ACACB O00763 1/20 0.30
ATM Q13315 1/20 0.30
NPY5R Q15761 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
SCHEMBL782275 0.89 L3MBTL1 (0.32) L3MBTL1
SCHEMBL769586 0.86 POLB (0.36) POLBMAPTAVPR1AMEN1ALDH1A1
SCHEMBL782163 0.85 L3MBTL1 (0.32) POLBL3MBTL1
SCHEMBL2759742 0.81 ACACB (0.36) KMT2AACACB
SCHEMBL768905 0.81 POLB (0.39) POLBMAPTAVPR1AMEN1ALDH1A1
SCHEMBL782497 0.78 POLB (0.34) POLBMAPTAVPR1AL3MBTL1ALDH1A1
SCHEMBL782405 0.77 KMT2A (0.36) POLBMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL782496 0.76
SCHEMBL16592186 0.75 HSD11B1 (0.35) POLBMAPTAVPR1AMEN1ALDH1A1
SCHEMBL12747351 0.75 THRB (0.46) POLBMAPTL3MBTL1ATM

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
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 4426/4885MAPT 4543/4885AVPR1A 1446/4885

“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.