SCHEMBL11941313

SCHEMBL11941313

CC1(C)NC(=O)C(c2cccc(-c3ccccc3)c2)=C1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KMO O15229 1/20 0.39
ACMSD Q8TDX5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GSK3B P49841 2/20 0.38
COMT P21964 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP2 O95551 2/20 0.36
NOTUM Q6P988 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 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
SCHEMBL11941307 0.89 PTGS2 (0.46) PTGS2ALDH1A1GSK3B
SCHEMBL11941299 0.84 L3MBTL1 (0.42) PTGS2CHEK1WEE1NOTUM
SCHEMBL11973558 0.75 ACACB (0.41) PTGS2HDAC4HDAC2HDAC8KMO
SCHEMBL11109280 0.73 PTGS2 (0.56) PTGS2HDAC4HDAC2HDAC8KMO
SCHEMBL14675770 0.73 ACACB (0.55) PTGS2
SCHEMBL11941306 0.71 DAO (0.39) ALDH1A1GSK3BCHEK1WEE1NOTUM
SCHEMBL11941315 0.66 ACACB (0.46) ALDH1A1WEE1MEN1KMT2A
SCHEMBL1133537 0.65 PTGS2 (0.57) PTGS2GSK3B
Formic Acid SCHEMBL27890706 0.65 KMO (0.58) HDAC4HDAC2HDAC8KMOACMSD
Bicarbonate SCHEMBL9702180 0.64 KMO (0.70) HDAC4HDAC2HDAC8KMOACMSD

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 239/4885HDAC4 2257/4885HDAC2 1604/4885
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH PTGS2 239/4885HDAC4 2257/4885HDAC2 1604/4885

“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.