SCHEMBL21735845

SCHEMBL21735845

CCc1ccc(-c2cc3ccc(OCC(F)(F)C(F)(F)C(F)(F)COC(=O)C(CC(C)C)C(C)C)cc3o2)c(CC)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN1 P18031 1/20 0.32
MAOB P27338 5/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
S1PR1 P21453 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
SCHEMBL21735094 0.85 PTPN1 (0.33) GLAALDH1A1KDM4EGAAHPGD
SCHEMBL21735637 0.82 NR1H4 (0.31) CA2S1PR1
SCHEMBL22629187 0.81 PTPN1 (0.32) GLAALDH1A1KDM4EGAAHPGD
SCHEMBL22628864 0.81 APP (0.31) PTPN1MAOBF2RL3APP
SCHEMBL22628827 0.80 PTPN1 (0.34) GLAALDH1A1KDM4EGAAHPGD
SCHEMBL21735425 0.78 GLA (0.33) GLAALDH1A1KDM4EGAAHPGD
SCHEMBL22630112 0.75 NR1H4 (0.31)
SCHEMBL21735231 0.74 RAB9A (0.33) GLAALDH1A1KDM4EGAAHPGD
SCHEMBL21735230 0.74 ALDH1A1 (0.32) GLAALDH1A1KDM4EGAAHPGD
SCHEMBL21734927 0.74 PTPN1 (0.33) GLAALDH1A1KDM4EGAAHPGD

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 GLA 963/4885ALDH1A1 1851/4885KDM4E 4579/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 GLA 963/4885ALDH1A1 1851/4885KDM4E 4579/4885

“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.