SCHEMBL19178271

SCHEMBL19178271

CC(C)(O)CNC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 4/20 0.38
CA14 Q9ULX7 2/20 0.38
APLNR P35414 1/20 0.38
CA1 P00915 4/20 0.37
CA9 Q16790 2/20 0.37
EPHX1 P07099 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CA7 P43166 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL24503827 0.91 TDP1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7554680 0.89 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL13678549 0.89 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL23350894 0.87 TDP1 (0.43) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL842921 0.86 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1289840 0.85 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL23465643 0.85 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL18843239 0.84 MEN1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL23332545 0.82 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3984277 0.82 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3407716-B9 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2021-07-14 EP disclosed
EP-3407716-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-02-17 EP disclosed
US-10251394-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2019-04-09 US disclosed
CN-109152363-A Molecule with desinsection effectiveness, and intermediate relevant to these molecules, composition and method 美国陶氏益农公司 2019-01-04 CN disclosed
WO-2017132015-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
US-20170208803-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 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-20170208803-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 TDP1 606/4885MAOA 531/4885MAOB 1081/4885
US-10251394-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MSMO1 TDP1 606/4885MAOA 531/4885MAOB 1081/4885

“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.