SCHEMBL21735752

SCHEMBL21735752

C=C(C)C(=O)OCC(COc1ccc2cc(-c3ccc(CCCCC)cc3CC)oc2c1)CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.39
S1PR3 Q99500 2/20 0.39
SLC10A1 Q14973 1/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PLA2G4A P47712 1/20 0.31
NDUFS8 O00217 2/20 0.31
COXFA4 O00483 2/20 0.31
NDUFAB1 O14561 2/20 0.31
NDUFA1 O15239 2/20 0.31
NDUFS4 O43181 2/20 0.31
NDUFB5 O43674 2/20 0.31
NDUFB3 O43676 2/20 0.31
NDUFC1 O43677 2/20 0.31
NDUFA2 O43678 2/20 0.31
NDUFS5 O43920 2/20 0.31
NDUFS7 O75251 2/20 0.31
NDUFS2 O75306 2/20 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
SCHEMBL21735731 0.92 S1PR1 (0.38) S1PR1S1PR3SLC10A1MAOBMAOA
SCHEMBL22625007 0.91 MAOB (0.37) S1PR1S1PR3SLC10A1MAOBMAOA
SCHEMBL21735273 0.91 S1PR1 (0.43) S1PR1S1PR3MAOBMAOAPTGES
SCHEMBL21735754 0.91 S1PR1 (0.38) S1PR1S1PR3SLC10A1MAOBMAOA
SCHEMBL21735212 0.90 S1PR1 (0.39) S1PR1S1PR3SLC10A1MAOBMAOA
SCHEMBL21735729 0.90 THRB (0.40) S1PR1S1PR3SLC10A1MAOBMAOA
SCHEMBL25848597 0.87 MAOB (0.36) S1PR1S1PR3SLC10A1MAOBMAOA
SCHEMBL21735750 0.86 RAB9A (0.35) S1PR1S1PR3MAOBMAOA
SCHEMBL26291450 0.86 S1PR1 (0.43) S1PR1S1PR3SLC10A1MAOBMAOA
SCHEMBL22625108 0.85 MAOB (0.36) S1PR1S1PR3SLC10A1MAOBMAOA

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 2314/4885SLC10A1 4684/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885S1PR3 2314/4885SLC10A1 4684/4885

“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.