SCHEMBL17559986

SCHEMBL17559986

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.37
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.31
SERPINE1 P05121 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL954672 0.85 MMP8 (0.38) MMP8HTTSERPINE1GRIN2DGRIN3B
SCHEMBL14990897 0.83 MMP8 (0.39) MMP8SERPINE1
SCHEMBL2916859 0.81 MMP8 (0.38) MMP8SERPINE1
SCHEMBL10632584 0.81 HTT (0.35) HTTSERPINE1GRIN2DGRIN3BGRIN1
SCHEMBL9638993 0.80 MMP8 (0.35) MMP8
SCHEMBL10661842 0.79 MMP8 (0.37) MMP8CYP2C19SERPINE1GRIN2DGRIN3B
SCHEMBL13686739 0.79 MMP8 (0.41) MMP8SERPINE1
SCHEMBL19534572 0.79 SLC7A5 (0.35) MMP8GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4187826 0.78 HTT (0.39) HTTCYP2C19GRIN2DGRIN3BGRIN1
SCHEMBL10280097 0.78 HTT (0.39) HTTCYP2C19GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676226-A1 ANTIFUNGAL COMPOSITIONS COMPRISING NATAMYCIN Patent Nata B.V. (NL) 2026-01-14 EP disclosed
WO-2024186207-A1 ANTIFUNGAL COMPOSITIONS COMPRISING NATAMYCIN CERADIS PATENT B.V. (NL) 2024-09-12 WO disclosed
US-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2023-12-28 US disclosed
EP-4250926-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI Industries Ltd. (IN) 2023-10-04 EP disclosed
WO-2023089543-A1 HERBICIDAL COMBINATIONS PI INDUSTRIES LTD. (IN) 2023-05-25 WO disclosed
WO-2023073566-A1 OIL DISPERSION FORMULATION PI INDUSTRIES LTD. (IN) 2023-05-04 WO disclosed
WO-2022130188-A1 AGROCHEMICAL COMPOSITION COMPRISING PIPERIDINE THIAZOLE COMPOUNDS PI INDUSTRIES LTD. (IN) 2022-06-23 WO disclosed
WO-2022113033-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-06-02 WO disclosed
US-10785973-B2 Aqueous pesticide microemulsion BASF SE (DE) 2020-09-29 US disclosed
EP-3188597-B1 AQUEOUS PESTICIDE MICROEMULSION BASF SE (DE) 2019-02-06 EP disclosed
US-20170280710-A1 AQUEOUS PESTICIDE MICROEMULSION BASF SE (DE) 2017-10-05 US disclosed
EP-3188597-A1 AQUEOUS PESTICIDE MICROEMULSION BASF SE (DE) 2017-07-12 EP disclosed
CN-106793772-A Aqueous pesticide microemulsion 巴斯夫欧洲公司 2017-05-31 CN disclosed
WO-2016034618-A1 AQUEOUS PESTICIDE MICROEMULSION BASF SE (DE) 2016-03-10 WO disclosed
WO-2016034615-A1 AQUEOUS INSECTICIDE FORMULATION CONTAINING HYPERBRANCHED POLYMER BASF Agro B.V. (NL) 2016-03-10 WO 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-20170280710-A1 AQUEOUS PESTICIDE MICROEMULSION PLD1, CHRM2, PLD2 MMP8 1296/4885HTT 2510/4885CYP2C19 1953/4885
US-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF CBR3, PFAS, PAH MMP8 4582/4885HTT 3722/4885CYP2C19 391/4885
US-10785973-B2 Aqueous pesticide microemulsion PLD1, CHRM2, PLD2 MMP8 1296/4885HTT 2510/4885CYP2C19 1953/4885

“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.