SCHEMBL21735320

SCHEMBL21735320

C=C(C)C(=O)OCC(COc1ccc2cc(-c3ccc(CC)nc3CC)oc2c1)CC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
GLA P06280 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD11B1 P28845 1/20 0.30
PTPN1 P18031 1/20 0.30
MAOB P27338 2/20 0.30
APP P05067 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21735300 0.89 S1PR1 (0.33) S1PR1S1PR3RAB9ANPC1GLA
SCHEMBL21735231 0.89 RAB9A (0.33) S1PR1S1PR3RAB9ANPC1GLA
SCHEMBL21735321 0.86
SCHEMBL21735750 0.85 RAB9A (0.35) S1PR1S1PR3RAB9ANPC1GLA
SCHEMBL26291616 0.85 RAB9A (0.37) S1PR1S1PR3RAB9ANPC1GLA
SCHEMBL21735364 0.83 PTPN1 (0.32) S1PR1S1PR3RAB9ANPC1GLA
SCHEMBL21734980 0.82 S1PR1 (0.31) S1PR1
SCHEMBL21734926 0.82 RAB9A (0.42) S1PR1S1PR3RAB9ANPC1GLA
SCHEMBL21734927 0.82 PTPN1 (0.33) S1PR1S1PR3RAB9ANPC1GLA
SCHEMBL21734957 0.82 S1PR1 (0.37) S1PR1S1PR3RAB9ANPC1GLA

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 S1PR1 3951/4885S1PR3 2314/4885RAB9A 1916/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885S1PR3 2314/4885RAB9A 1916/4885

“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.