SCHEMBL19409273

SCHEMBL19409273

CCCC(C)CC(C)OC(=O)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
FAAH O00519 1/20 0.37
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.31
ABCB1 P08183 1/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 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
SCHEMBL30582784 0.84
SCHEMBL4530794 0.84 FAAH (0.44) TSHRFAAHCHRM1AKR1A1CHRM3
SCHEMBL14990831 0.82 TSHR (0.41) TSHRFAAHCHRM1AKR1A1CHRM3
SCHEMBL29923778 0.76 FAAH (0.54) TSHRFAAHTDP1CA1ABCB1
SCHEMBL4838991 0.76 FAAH (0.54) TSHRFAAHTDP1CA1ABCB1
SCHEMBL9013592 0.75 CHRM1 (0.36) TSHRFAAHCHRM1AKR1A1CHRM3
SCHEMBL4530674 0.75 CTSK (0.40) TSHRFAAHCHRM1AKR1A1CHRM3
SCHEMBL702238 0.74 MAPT (0.42) TSHRFAAHCHRM1MAPT
SCHEMBL23494195 0.74 TSHR (0.40) TSHRCYP3A4
SCHEMBL23494204 0.74 TSHR (0.40) TSHRFAAH

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 13 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
CN-116801720-A Novel agrochemical compositions comprising 3-substituted benzamidine compounds and uses thereof 皮埃企业有限公司 2023-09-22 CN 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
CN-106793772-A Aqueous pesticide microemulsion 巴斯夫欧洲公司 2017-05-31 CN 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 TSHR 2253/4885FAAH 1865/4885CHRM1 4/4885
US-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF CBR3, PFAS, PAH TSHR 4379/4885FAAH 2125/4885CHRM1 487/4885
US-10785973-B2 Aqueous pesticide microemulsion PLD1, CHRM2, PLD2 TSHR 2253/4885FAAH 1865/4885CHRM1 4/4885

“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.