SCHEMBL26354489

SCHEMBL26354489

O=C(CCC(=O)N1CCNCC1)OC[C@H]1OC[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.38
▸ KLK7 P49862 2/20 0.37
▸ KLK5 Q9Y337 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ BCHE P06276 2/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.34
▸ TPSD1 Q9BZJ3 1/20 0.34
▸ TPSG1 Q9NRR2 1/20 0.34
▸ FKBP1A P62942 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL29410626 0.84 PTPN1 (0.43) NOTUMTNF
SCHEMBL27304127 0.82 TDP1 (0.46) SLC6A2BCHEACHEMGLL
SCHEMBL26349664 0.80 TNF (0.39) NOTUMTNF
SCHEMBL22710223 0.77 ALDH1A1 (0.47) SLC6A2KLK7KLK5BCHEACHE
SCHEMBL30040993 0.77 ALDH1A1 (0.47) SLC6A2KLK7KLK5BCHEACHE
Malonic Acid SCHEMBL10908257 0.74 BCHE (0.47) SLC6A2KLK7KLK5BCHEACHE
SCHEMBL24894599 0.72 SLC6A2 (0.58) SLC6A2BCHEACHE
SCHEMBL18822660 0.72 BCHE (0.55) SLC6A2BCHEACHE
SCHEMBL20107393 0.72 SLC6A2 (0.58) SLC6A2BCHEACHE
SCHEMBL22710225 0.72 SLC6A2 (0.58) SLC6A2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303618-A1 TRIPTOLIDE CONJUGATES AND USES THEREOF REYOUNG CORPORATION (US) 2023-09-28 — — 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-20230303618-A1 TRIPTOLIDE CONJUGATES AND USES THEREOF TLR9, XIAP, ENPP2 SLC6A2 3027/4885KLK7 1212/4885KLK5 1830/4885

“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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