SCHEMBL9752733

SCHEMBL9752733

CC(C)CCC(=O)c1c(O)cc(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
CYP3A4 P08684 3/20 0.57
KMT2A Q03164 3/20 0.57
PTGS1 P23219 1/20 0.57
DRD3 P35462 1/20 0.57
SLC5A1 P13866 7/20 0.51
SLC5A2 P31639 7/20 0.51
CYP19A1 P11511 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SLC16A3 O15427 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TTR P02766 1/20 0.51
ESR1 P03372 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL9752750 0.85 FFAR1 (0.67) MEN1CYP3A4KMT2APTGS1DRD3
SCHEMBL6276169 0.80 FFAR1 (0.71) MEN1CYP3A4KMT2APTGS1DRD3
SCHEMBL31040534 0.79 FFAR1 (0.59) MEN1CYP3A4KMT2APTGS1HPGD
SCHEMBL31040527 0.79 FFAR1 (0.59) MEN1CYP3A4KMT2APTGS1HPGD
SCHEMBL29287608 0.79 FFAR1 (0.54) MEN1CYP3A4KMT2APTGS1DRD3
SCHEMBL31040526 0.79 FFAR1 (0.59) MEN1CYP3A4KMT2APTGS1DRD3
SCHEMBL2788789 0.78 MEN1 (0.69) MEN1CYP3A4KMT2APTGS1DRD3
SCHEMBL8845319 0.78 MEN1 (0.49) MEN1CYP3A4KMT2APTGS1DRD3
SCHEMBL31511904 0.77 HTT (0.61) MEN1CYP3A4KMT2AGAAMAPT
SCHEMBL10876611 0.77 HTT (0.61) MEN1CYP3A4KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113278597-B Novel short side chain fatty acid CoA ligase and application thereof in preparation of patchoulenone 重庆大学 2023-04-21 CN claimed
CN-113278597-A Novel short-side-chain fatty acid CoA ligase and application thereof in preparation of patchoulenone 重庆大学 2021-08-20 CN claimed
US-20250084049-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF FIRMENICH INCORPORATED (US) 2025-03-13 US disclosed
CN-113278597-B Novel short side chain fatty acid CoA ligase and application thereof in preparation of patchoulenone 重庆大学 2023-04-21 CN disclosed
WO-2023278394-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF FIRMENICH INCORPORATED (US) 2023-01-05 WO disclosed
CN-113278597-A Novel short-side-chain fatty acid CoA ligase and application thereof in preparation of patchoulenone 重庆大学 2021-08-20 CN disclosed
WO-1991009595-A1 ANTI-VIRAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1991-07-11 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-20250084049-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF PGC, SLC5A6, PUF60 MEN1 2672/4885CYP3A4 4589/4885KMT2A 741/4885

“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.