Aguerin B

Aguerin B

SCHEMBL29352650

C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21

nearest known ligand 0.77

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ MITF O75030 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ GPX4 P36969 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GPR52 Q9Y2T5 1/20 0.37
▸ PTPN1 P18031 3/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 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
SCHEMBL10307519 0.89 MAPT (0.43) MAPTNPC1HTTRAB9AKDM4E
Cynaropicrin SCHEMBL1711522 0.87 MAPT (0.42) MAPTNPC1HTTRAB9AKDM4E
Cynaropicrin SCHEMBL349976 0.87 MAPT (0.42) MAPTNPC1HTTRAB9AKDM4E
Cynaropicrin SCHEMBL1711811 0.87 MAPT (0.42) MAPTNPC1HTTRAB9AKDM4E
SCHEMBL31092250 0.85 MAPT (0.43) MAPTNPC1HTTRAB9AKDM4E
SCHEMBL10307583 0.79 MAPT (0.35) MAPTNPC1HTTRAB9AKDM4E
Desacylcynaropicrin SCHEMBL10307509 0.77 MAPT (0.33) MAPTNPC1HTTRAB9AMITF
SCHEMBL28108662 0.76 MAPT (0.73) MAPTNPC1HTTRAB9AKDM4E
Molephantin SCHEMBL27163122 0.70 NPC1 (1.00) MAPTNPC1HTTRAB9AKDM4E
SCHEMBL31273011 0.70 MAPT (0.42) MAPTNPC1HTTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229204-B2 Herbicidal composition comprising at least one phenolic active compound Université de Liège (BE) 2022-01-25 — — US claimed
US-11229204-B2 Herbicidal composition comprising at least one phenolic active compound Université de Liège (BE) 2022-01-25 — — 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 (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-11229204-B2 Herbicidal composition comprising at least one phenolic active compound DDT, DNPH1, KEAP1 MAPT 2189/4885NPC1 4123/4885HTT 55/4885

“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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