SCHEMBL5582367

SCHEMBL5582367

COC(=O)CCc1cc(-c2ccc(Cl)cc2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPT P10636 2/20 0.42
EGFR P00533 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACLY P53396 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL5535142 0.85 ACLY (0.47) EGLN1MAPTALDH1A1LMNAKDM4E
SCHEMBL5348731 0.79 TAAR1 (0.50) MAPTALDH1A1LMNAL3MBTL1GAA
SCHEMBL11532393 0.77 MAPT (0.57) MAPTEGFRALDH1A1POLBGAA
SCHEMBL12808519 0.76 NPSR1 (0.61) MAPTCCNCCDK8ALDH1A1LMNA
SCHEMBL5582368 0.76 HPGD (0.50) CYP11B1CYP11B2MAPTEGFRALDH1A1
SCHEMBL12370801 0.75 HRH3 (0.49) MAPT
SCHEMBL2355633 0.74 SHMT1 (0.41) ALDH1A1KDM4ESCN2ASCN10A
SCHEMBL509730 0.74 SUCNR1 (0.50) ALDH1A1KDM4E
SCHEMBL14609800 0.74 MAPT (0.54) CYP11B1CYP11B2MAPTEGFRALDH1A1
Cyclopropane SCHEMBL11849130 0.74 MAPT (0.54) MAPTEGFRALDH1A1GAA

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-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-17 US disclosed
US-8168566-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-8119566-B2 use as pesticides and/or herbicides and/or microbicides; for the selective control of weeds; synergistic; low application rates and concentrations; in particular in cereals (especially wheat) BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-02-16 US disclosed
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 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-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD EGLN1 1066/4885CYP11B1 1201/4885CYP11B2 1283/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD EGLN1 1066/4885CYP11B1 1201/4885CYP11B2 1283/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD EGLN1 1066/4885CYP11B1 1201/4885CYP11B2 1283/4885

“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.