SCHEMBL11941307

SCHEMBL11941307

CC1(C)NC(=O)C(c2ccccc2)=C1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.46
ALDH1A1 P00352 1/20 0.43
GSK3B P49841 5/20 0.40
P2RX7 Q99572 1/20 0.38
PDE4B Q07343 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 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
SCHEMBL11941313 0.89 PTGS2 (0.43) PTGS2ALDH1A1GSK3B
SCHEMBL11941306 0.77 DAO (0.39) ALDH1A1GSK3BKDM4E
SCHEMBL12499867 0.75 PTGS1 (0.40) PTGS2ALDH1A1GSK3BKDM4EGAA
SCHEMBL3827563 0.73 TSHR (0.45) PTGS2ALDH1A1GSK3BPDE4BGAA
SCHEMBL11941308 0.72 GAA (0.43) PTGS2ALDH1A1KDM4EGAA
SCHEMBL811828 0.70 PGR (0.45) PTGS2GSK3B
SCHEMBL187764 0.68 PTGS2 (0.61) PTGS2GSK3BP2RX7
SCHEMBL11941315 0.68 ACACB (0.46) ALDH1A1KDM4E
SCHEMBL114611 0.68 PTGS2 (0.67) PTGS2GSK3BPDE4B
SCHEMBL28610937 0.68 PTGS2 (0.44) PTGS2P2RX7PDE4BHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372580-B1 METHOD FOR THE PREPARATION OF 1-H-PYRROLIDIN-2,4-DIONE-DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-07-22 EP disclosed
EP-2668158-B1 METHOD FOR PRODUCING 1-H-PYRROLIDINE-2,4-DIONE DERIVATIVES BAYER IP GMBH (DE) 2018-06-27 EP disclosed
US-9272997-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9272997-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-12-18 US disclosed
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-12-18 US disclosed
US-8859782-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER CROPSCIENCE AG (DE) 2014-10-14 US disclosed
US-8859782-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER CROPSCIENCE AG (DE) 2014-10-14 US disclosed
US-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-07-26 US disclosed
US-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-07-26 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-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH PTGS2 239/4885ALDH1A1 318/4885GSK3B 4576/4885
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH PTGS2 239/4885ALDH1A1 318/4885GSK3B 4576/4885

“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.