SCHEMBL25755700

SCHEMBL25755700

COC(=O)COC(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PRKCA P17252 1/20 0.37
CA2 P00918 1/20 0.36
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL14363254 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1TSHRHSD17B10MGAM
SCHEMBL112862 0.83
SCHEMBL9981488 0.81 MMP1 (0.43) ALDH1A1L3MBTL1MMP1MMP2MMP3
Ammonia Solution, Strong SCHEMBL28151787 0.80
Hydrochloric Acid SCHEMBL30578737 0.80
Ethane SCHEMBL15443052 0.80 TSHR (0.48) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL16597990 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1MMP1MMP2MMP3
SCHEMBL14727820 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1TSHRHSD17B10MGAM
Hydrochloric Acid SCHEMBL29029470 0.78 TSHR (0.46) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL27313804 0.78 TSHR (0.48) ALDH1A1MMP1MMP2MMP3MMP9

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
US-20230276792-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CLOQUINTOCET-MEXYL BAYER AKTIENGESELLSCHAFT (DE) 2023-09-07 US disclosed
US-20230217926-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND ISOXADIFEN-ETHYL BAYER AKTIENGESELLSCHAFT (DE) 2023-07-13 US disclosed
US-20230200390-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND MEFENPYR-DIETHYL BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230200394-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND BENOXACOR BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230200393-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND METCAMIFEN BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230189808-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND FURILAZOLE BAYER AKTIENGESELLSCHAFT (DE) 2023-06-22 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 (6 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-20230200394-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND BENOXACOR AADAC, CBR3, BROX ALDH1A1 573/4885L3MBTL1 3542/4885MMP1 2092/4885
US-20230276792-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CLOQUINTOCET-MEXYL AADAC, ABAT, ABCG2 ALDH1A1 1560/4885L3MBTL1 1949/4885MMP1 3507/4885
US-20230217926-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND ISOXADIFEN-ETHYL AADAC, CYP4F12, IDH2 ALDH1A1 1005/4885L3MBTL1 2991/4885MMP1 2609/4885
US-20230200393-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND METCAMIFEN MET, MTX2, AADAC ALDH1A1 1065/4885L3MBTL1 4255/4885MMP1 1096/4885
US-20230200390-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND MEFENPYR-DIETHYL DDT, AADAC, EFHD2 ALDH1A1 929/4885L3MBTL1 3469/4885MMP1 2315/4885
US-20230189808-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND FURILAZOLE AADAC, NOTUM, CYP4X1 ALDH1A1 811/4885L3MBTL1 3994/4885MMP1 1589/4885

“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.