SCHEMBL21735203

SCHEMBL21735203

CCCCCc1ccc(-c2cc3ccc(SC(=O)N(C)C)cc3o2)c(CC)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 1/20 0.34
ALOX15 P16050 1/20 0.34
ACHE P22303 3/20 0.33
ALOX5 P09917 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTGES O14684 1/20 0.33
P2RY1 P47900 1/20 0.33
KAT8 Q9H7Z6 2/20 0.32
PPARA Q07869 1/20 0.32
RARB P10826 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL21735207 0.88 ALOX5 (0.45) S1PR1ALOX5PTGESPPARA
SCHEMBL21735200 0.85 ALOX5 (0.35) ALDH1A1S1PR1S1PR3ALOX15ALOX5
SCHEMBL22629185 0.84 ALOX15 (0.35) S1PR1S1PR3ALOX15ACHEALOX5
SCHEMBL21735221 0.83 ALDH1A1 (0.39) ALDH1A1HDAC6
SCHEMBL21735218 0.81 ALDH1A1 (0.41) ALDH1A1HDAC6
SCHEMBL21735206 0.80 ALOX5 (0.47) ALDH1A1ACHEALOX5PTGES
SCHEMBL20473353 0.78 ALOX15 (0.36) S1PR1S1PR3ALOX15ALOX5PTGES
SCHEMBL20473355 0.76 ALOX5 (0.51) ALDH1A1S1PR1S1PR3ACHEALOX5
SCHEMBL26292164 0.76 S1PR1 (0.46) ALDH1A1S1PR1S1PR3ACHEALOX5
SCHEMBL26291446 0.74 THRB (0.37) S1PR1S1PR3ACHEALOX5PTGES

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
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 ALDH1A1 1851/4885S1PR1 3951/4885S1PR3 2314/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALDH1A1 1851/4885S1PR1 3951/4885S1PR3 2314/4885

“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.