SCHEMBL21402585

SCHEMBL21402585

CC(CC1CCCCC1)OCC(O)CO

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.40
▸ CTSL P07711 7/20 0.38
▸ CTSB P07858 7/20 0.38
▸ CTSH P09668 5/20 0.38
▸ USP2 O75604 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
SCHEMBL7897574 0.79 CTSK (0.37) CTSKCTSLCTSBCTSH
SCHEMBL21402639 0.77 TP53 (0.36) USP2
SCHEMBL7910227 0.77 CTSK (0.38) CTSKCTSLCTSBCTSH
SCHEMBL7910234 0.77 CTSK (0.38) CTSKCTSLCTSBCTSH
Methacrylic Acid SCHEMBL7162656 0.75 CTSK (0.39) CTSKCTSLCTSBCTSH
SCHEMBL28622321 0.75 ALDH1A1 (0.38) —
SCHEMBL7906892 0.75 ALDH1A1 (0.38) —
SCHEMBL7906888 0.75 ALDH1A1 (0.38) —
SCHEMBL22890900 0.74 SLC6A2 (0.34) CTSKCTSLCTSBCTSH
SCHEMBL21402584 0.73 CTSK (0.44) CTSKCTSLCTSBCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110225739-B Wrinkle-improving agent 宝丽化成工业有限公司 2022-03-15 — — CN disclosed
US-10813859-B2 Wrinkle ameliorating agent POLA CHEMICAL INDUSTRIES, INC. (JP) 2020-10-27 — — US disclosed
EP-3545942-A1 WRINKLE AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2019-10-02 — — 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 (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-10813859-B2 Wrinkle ameliorating agent COL2A1, COL1A1, COL14A1 CTSK 1893/4885CTSL 3788/4885CTSB 1459/4885

“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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