SCHEMBL21735358

SCHEMBL21735358

C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1)CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.42
PTPN1 P18031 1/20 0.39
ALOX5 P09917 2/20 0.38
S1PR3 Q99500 2/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTGES O14684 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
FPR1 P21462 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 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
SCHEMBL21735330 0.93 S1PR1 (0.37) S1PR1PTPN1ALOX5S1PR3PPARG
SCHEMBL22625396 0.93 NPC1 (0.39) S1PR1MAOBMAOAFPR1NPC1
SCHEMBL21735336 0.92 S1PR1 (0.38) S1PR1PTPN1ALOX5S1PR3PPARG
SCHEMBL21735338 0.91 S1PR1 (0.37) S1PR1PTPN1ALOX5S1PR3PPARA
SCHEMBL21735051 0.90 S1PR1 (0.43) S1PR1PTPN1ALOX5S1PR3PPARG
SCHEMBL21735371 0.90 S1PR1 (0.42) S1PR1PTPN1ALOX5S1PR3PPARG
SCHEMBL22628734 0.89 S1PR1 (0.43) S1PR1PTPN1ALOX5S1PR3PPARG
SCHEMBL21734970 0.88 S1PR1 (0.42) S1PR1PTPN1ALOX5S1PR3PPARG
SCHEMBL26291483 0.87 S1PR1 (0.48) S1PR1PTPN1ALOX5S1PR3PPARG
SCHEMBL21735351 0.87 ALOX5 (0.37) S1PR1PTPN1ALOX5PPARGPPARA

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 S1PR1 3951/4885PTPN1 4838/4885ALOX5 167/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885PTPN1 4838/4885ALOX5 167/4885

“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.