SCHEMBL20398694

SCHEMBL20398694

CCCCC(CC)COC(=O)Oc1c2ccccc2c(OC(=O)OCC(CC)CCCC)c2cc(CC)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ CA2 P00918 1/20 0.54
▸ LMNA P02545 3/20 0.50
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ MAPK1 P28482 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RECQL P46063 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL30003131 1.00 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398474 0.97 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398585 0.97 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398705 0.90 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30004044 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398567 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23271948 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30003196 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30003626 0.88 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398699 0.88 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11613509-B2 Radical polymerization control agent and radical polymerization control method KAWASAKI KASEI CHEMICALS LTD. (JP) 2023-03-28 — — US disclosed
US-11149103-B2 Photopolymerization sensitizer composition and photopolymerizable composition comprising the same KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-10-19 — — US disclosed
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-04-29 — — US disclosed
US-10570227-B2 Photopolymerizable composition KAWASAKI KASEI CHEMICALS LTD. (JP) 2020-02-25 — — US disclosed
US-20190119426-A1 PHOTOPOLYMERIZATION SENSITIZER COMPOSITION AND PHOTOPOLYMERIZABLE COMPOSITION COMPRISING THE SAME KAWASAKI KASEI CHEMICALS LTD. (JP) 2019-04-25 — — US disclosed
US-20180208689-A1 PHOTOPOLYMERIZABLE COMPOSITION KAWASAKI KASEI CHEMICALS LTD. (JP) 2018-07-26 — — 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 (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-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC ALDH1A1 1023/4885CYP3A4 726/4885CA2 1806/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC ALDH1A1 1023/4885CYP3A4 726/4885CA2 1806/4885

“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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