Bufobutanoic Acid

Bufobutanoic Acid

SCHEMBL29679385

O=C(O)CCC(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 12/20 0.71
▸ SPR P35270 4/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ NPSR1 Q6W5P4 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ MAPT P10636 1/20 0.69
▸ IDO1 P14902 1/20 0.69
▸ HPGD P15428 1/20 0.69
▸ BLM P54132 1/20 0.69
▸ NOTUM Q6P988 1/20 0.69
▸ LMNA P02545 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ PTGS2 P35354 2/20 0.62
▸ FAAH O00519 1/20 0.62
▸ PTGS1 P23219 1/20 0.61

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
Bufobutanoic Acid SCHEMBL22804772 1.00 TRPV1 (0.71) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL19051471 0.93 TRPV1 (0.76) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL29679209 0.92 TRPV1 (0.81) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL25137286 0.91 TRPV1 (0.76) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL4686124 0.89 TRPV1 (0.84) TRPV1SPRKDM4EALDH1A1NPSR1
N-Dihydro-P-Coumaroylserotonin SCHEMBL10070986 0.86 TRPV1 (0.72) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL2271234 0.86 SPR (0.74) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL1960963 0.85 SPR (0.78) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL15232329 0.85 TRPV1 (0.76) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL31036202 0.85 TRPV1 (0.91) TRPV1SPRKDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496144-A Bufadienamine derivative and application thereof in analgesic and antidepressant drugs 南京效真生物科技有限公司 2024-08-16 — — CN disclosed
US-20230174510-A1 N-acetylserotonin Derivatives as TrkB Activators and Uses Thereof EMORY UNIVERSITY 2023-06-08 — — US disclosed
EP-4142714-A1 N-ACETYLSEROTONIN DERIVATIVES AS TRKB ACTIVATORS AND USES THEREOF Emory University (US) 2023-03-08 — — EP disclosed
US-20220273620-A1 COMPOSITIONS CONTAINING TOAD SECRETION COMPOUNDS CAAMTECH, INC. 2022-09-01 — — US disclosed
EP-4003395-A1 COMPOSITIONS CONTAINING TOAD SECRETION COMPOUNDS Caamtech, Inc. (US) 2022-06-01 — — EP 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 (2 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-20230174510-A1 N-acetylserotonin Derivatives as TrkB Activators and Uses Thereof BDNF, NTRK2, NGF TRPV1 190/4885SPR 2524/4885KDM4E 3530/4885
US-20220273620-A1 COMPOSITIONS CONTAINING TOAD SECRETION COMPOUNDS HTR5A, DIMT1, GART TRPV1 1216/4885SPR 2569/4885KDM4E 2050/4885

“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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