SCHEMBL22264644

SCHEMBL22264644

CCCCCCCCCCCCCCCCCCC(C)(SC(=S)OCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
SMPD1 P17405 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
CES2 O00748 1/20 0.33
HTT P42858 1/20 0.33
PAM P19021 2/20 0.33
FAAH O00519 2/20 0.32
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32

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
SCHEMBL22264697 1.00 ALDH1A1 (0.40) ALDH1A1CYP2D6MEN1MAPTKMT2A
SCHEMBL23964502 0.79 MEN1 (0.38) ALDH1A1CYP2D6MEN1MAPTKMT2A
SCHEMBL20892679 0.77 MEN1 (0.36) ALDH1A1CYP2D6MEN1MAPTKMT2A
SCHEMBL23116266 0.76 GMNN (0.38) ALDH1A1MAPTSMPD1CES2FAAH
SCHEMBL20892748 0.76 MEN1 (0.35) ALDH1A1CYP2D6MEN1MAPTKMT2A
SCHEMBL21413181 0.75 CES2 (0.42) ALDH1A1MEN1KMT2ACES2
SCHEMBL5189273 0.75 CES2 (0.42) ALDH1A1MEN1KMT2ACES2
SCHEMBL21409822 0.75 CES2 (0.42) ALDH1A1MEN1KMT2ACES2
SCHEMBL21525123 0.75 CES2 (0.42) ALDH1A1MEN1KMT2ACES2
SCHEMBL4395025 0.75 CES2 (0.42) ALDH1A1MEN1KMT2ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917837-B1 PACKAGING SOLUTIONS FOR CONTACT LENSES BAUSCH & LOMB (US) 2024-06-26 EP disclosed
US-11492189-B2 Contact lens packaging solutions containing hydrophilic polymers endcapped with a hydrophilic and a hydrophobic group BAUSCH & LOMB INCORPORATED (US) 2022-11-08 US disclosed
EP-3917837-A1 PACKAGING SOLUTIONS FOR CONTACT LENSES Bausch & Lomb Incorporated (US) 2021-12-08 EP disclosed
US-20200239217-A1 PACKAGING SOLUTIONS BAUSCH HEALTH AMERICAS, INC. 2020-07-30 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-11492189-B2 Contact lens packaging solutions containing hydrophilic polymers endcapped with a hydrophilic and a hydrophobic group CRYZ, CRYAA, PHLPP1 ALDH1A1 2922/4885CYP2D6 4720/4885MEN1 1350/4885
US-20200239217-A1 PACKAGING SOLUTIONS AHSA1, HSPH1, AQP1 ALDH1A1 1403/4885CYP2D6 4489/4885MEN1 973/4885

“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.