SCHEMBL3755662

SCHEMBL3755662

CON1CCC2(CC1)OC(=O)C(c1ccc(Cl)cc1Cl)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
DPP4 P27487 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 5/20 0.34
HTT P42858 3/20 0.34
MAPK1 P28482 2/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL730684 0.82 TP53 (0.38) HPGDALDH1A1KDM4EGAACASP1
SCHEMBL3752642 0.81
SCHEMBL2759714 0.77 GAA (0.39) HPGDALDH1A1KDM4EGAACASP1
SCHEMBL2527649 0.76 MAPK1 (0.38) HPGDALDH1A1KDM4EGAACASP1
SCHEMBL3394216 0.74 MAPK1 (0.36) HPGDALDH1A1KDM4EGAACASP1
SCHEMBL845209 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL844737 0.71
SCHEMBL782595 0.69 PTGS2 (0.42) HPGDALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL3762924 0.69 MEN1 (0.32)
SCHEMBL2759730 0.68 ADAM17 (0.33) TP53

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
EP-2432785-B1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-10-15 EP disclosed
US-8592610-B2 Spiroheterocyclic tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-26 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-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 (2 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 HPGD 3416/4885ALDH1A1 3021/4885KDM4E 4133/4885
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives DDT, PTPRG, WIZ HPGD 3416/4885ALDH1A1 3021/4885KDM4E 4133/4885

“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.