SCHEMBL25397182

SCHEMBL25397182

COc1c(Cl)ccc(Cl)c1C(=O)OCCOCCOC(=O)c1c(Cl)ccc(Cl)c1OC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.68
▸ TSHR P16473 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TAS1R3 Q7RTX0 7/20 0.47
▸ TAS1R1 Q7RTX1 7/20 0.47
▸ TAS1R2 Q8TE23 5/20 0.43
▸ SERPINE1 P05121 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ELANE P08246 1/20 0.36
▸ ESR1 P03372 1/20 0.36

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
SCHEMBL29786129 1.00 ALDH1A1 (0.68) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL27198368 0.95 ALDH1A1 (0.73) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL29786135 0.95 ALDH1A1 (0.73) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL3779532 0.93 ALDH1A1 (0.59) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
Trimethylammonium SCHEMBL1701713 0.90 ALDH1A1 (0.68) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL26758255 0.90 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL24293418 0.90 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL29433216 0.89 ALDH1A1 (0.56) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL25394946 0.89 ALDH1A1 (0.56) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL21318173 0.87 ALDH1A1 (0.68) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023168484-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-09-14 — — WO claimed
US-20240122179-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF CORTEVA AGRISCIENCE LLC (US) 2024-04-18 — — US disclosed
WO-2023168484-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-09-14 — — WO disclosed
WO-2023168484-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-09-14 — — 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 (1 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-20240122179-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF DDT, HACL2, ALAD ALDH1A1 353/4885TSHR 817/4885KDM4E 3249/4885

“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.

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