SCHEMBL21402735

SCHEMBL21402735

CC(=O)OCC(C)Cc1ccc(C(=O)C2CCC(CN)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.43
PLG P00747 6/20 0.43
PLAU P00749 2/20 0.43
F2 P00734 1/20 0.40
PRSS1 P07477 5/20 0.39
PRSS2 P07478 5/20 0.39
PRSS3 P35030 5/20 0.39
F11 P03951 5/20 0.37
HRH2 P25021 4/20 0.37
HRH1 P35367 4/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL21402740 0.90 PLG (0.40) KLKB1PLGPLAUF2PRSS1
SCHEMBL21402768 0.87 PLG (0.40) KLKB1PLGPLAUF2PRSS1
SCHEMBL21402769 0.85 KLKB1 (0.40) KLKB1PLGPLAUF2PRSS1
SCHEMBL21402751 0.85 PLG (0.43) KLKB1PLGPLAUF2PRSS1
SCHEMBL21402741 0.84 ABL1 (0.44) KLKB1PLGPLAUF2PRSS1
SCHEMBL21402761 0.84 PLG (0.44) PLGPLAUF2PRSS1PRSS2
SCHEMBL21402748 0.83 HRH2 (0.38) KLKB1PLGPLAUF2HRH2
SCHEMBL28514642 0.82 F2 (0.44) KLKB1PLGPLAUF2PRSS1
SCHEMBL11132058 0.81 F2 (0.45) KLKB1PLGPLAUF2HRH2
SCHEMBL11132438 0.81 F2 (0.45) KLKB1PLGPLAUF2HRH2

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
US-12151010-B2 Skin lightening agent POLA CHEMICAL INDUSTRIES, INC. (JP) 2024-11-26 US disclosed
EP-3804690-B1 SKIN LIGHTENING AGENT POLA CHEM IND INC (JP) 2024-06-05 EP disclosed
EP-3545944-B1 WRINKLE AMELIORATING AGENT POLA CHEM IND INC (JP) 2022-12-28 EP disclosed
US-20210196599-A1 SKIN LIGHTENING AGENT POLA CHEMICAL INDUSTRIES, INC. (JP) 2021-07-01 US disclosed
EP-3804690-A1 SKIN LIGHTENING AGENT Pola Chemical Industries Inc. (JP) 2021-04-14 EP disclosed
US-10835466-B2 Wrinkle ameliorating agent POLA CHEMICAL INDUSTRIES, INC. (JP) 2020-11-17 US disclosed
EP-3545944-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 (3 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-10835466-B2 Wrinkle ameliorating agent COL2A1, COL1A1, ACOX1 KLKB1 4019/4885PLG 4464/4885PLAU 3922/4885
US-20210196599-A1 SKIN LIGHTENING AGENT ACOX1, HAO1, CBR1 KLKB1 3885/4885PLG 4515/4885PLAU 4565/4885
US-12151010-B2 Skin lightening agent ACOX1, HAO1, CBR1 KLKB1 3885/4885PLG 4515/4885PLAU 4565/4885

“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.