SCHEMBL21735676

SCHEMBL21735676

CCc1ccc(-c2cc3ccc(OCC(COC(=O)C(CC(C)C)C(C)C)C(F)(F)F)cc3s2)c(CC)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
NR1H4 Q96RI1 2/20 0.32
S1PR1 P21453 5/20 0.31
PPARA Q07869 1/20 0.30

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
SCHEMBL22628715 0.92 S1PR1 (0.34) CA2NR1H4S1PR1PPARA
SCHEMBL22628832 0.87 S1PR1 (0.30) CA2S1PR1PPARA
SCHEMBL21735637 0.86 NR1H4 (0.31) CA2NR1H4S1PR1
SCHEMBL21735531 0.86 FGFR1 (0.32) CA2NR1H4S1PR1
SCHEMBL21735763 0.86 CA2 (0.32) CA2NR1H4S1PR1
SCHEMBL22630012 0.83 CA2 (0.31) CA2
SCHEMBL22630007 0.82 CA2 (0.32) CA2
SCHEMBL22629862 0.80 S1PR1 (0.34) CA2NR1H4S1PR1PPARA
SCHEMBL22630112 0.79 NR1H4 (0.31) NR1H4
SCHEMBL21734980 0.75 S1PR1 (0.31) CA2S1PR1

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 2 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
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 CA2 3899/4885NR1H4 898/4885S1PR1 3951/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CA2 3899/4885NR1H4 898/4885S1PR1 3951/4885

“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.