SCHEMBL782595

SCHEMBL782595

CON1CCC2(CC1)OC(=O)C(c1ccc(Cl)cc1Cl)=C2O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
CYP2D6 P10635 2/20 0.35
MEN1 O00255 1/20 0.35
RGS12 O14924 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
CCNB2 O95067 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CDK1 P06493 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL782385 0.90 THRB (0.37) PTGS2ALDH1A1MAPTLMNAMAPK1
SCHEMBL782490 0.90 AVPR1A (0.35) PTGS2ALDH1A1MAPTLMNACYP2D6
SCHEMBL782235 0.87 NPY5R (0.38) GSK3BCYP2D6CYP1A2AVPR1ANPC1
SCHEMBL9286913 0.85 ACACB (0.39) PTGS2CYP2D6NPY5RHSD11B1
SCHEMBL13052290 0.84 PTGS2 (0.39) PTGS2SMN1; SMN2ALDH1A1MAPTGSK3A
SCHEMBL782600 0.83 EDNRA (0.40) PTGS2SMN1; SMN2CYP2D6AVPR1ANPY5R
SCHEMBL782373 0.83 NPY5R (0.39) SMN1; SMN2ALDH1A1MAPTGSK3AGSK3B
SCHEMBL782257 0.82 AVPR1A (0.39) MAPTLMNAMEN1TP53POLB
SCHEMBL13077048 0.82 ALDH1A1 (0.32) ALDH1A1MAPTLMNARECQLNPY5R
SCHEMBL782502 0.82 ACACB (0.31) ALDH1A1MAPTRECQLKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432785-B1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-10-15 EP disclosed
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-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-8318956-B2 Spiroheterocyclic tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-11-27 US disclosed
US-8318956-B2 Spiroheterocyclic tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-11-27 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
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-25 US disclosed
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-25 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 (3 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-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives DDT, PTPRG, WIZ PTGS2 3907/4885SMN1; SMN2 4208/4885ALDH1A1 3021/4885
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives DDT, PTPRG, WIZ PTGS2 3907/4885SMN1; SMN2 4208/4885ALDH1A1 3021/4885
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES DDT, DHFR, CYP1A1 PTGS2 1260/4885SMN1; SMN2 2021/4885ALDH1A1 23/4885

“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.