SCHEMBL21734935

SCHEMBL21734935

C=C(C)C(=O)OC1CCC(Oc2ccc3cc(-c4ccc(CCCCC)cc4OC)oc3c2)C1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.42
PTPN1 P18031 1/20 0.38
ALOX5 P09917 2/20 0.37
S1PR3 Q99500 2/20 0.36
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PTGES O14684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.31
MAOB P27338 1/20 0.31
RORC P51449 2/20 0.31
FPR1 P21462 2/20 0.31
GPR55 Q9Y2T6 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
SCHEMBL21734937 0.94 S1PR1 (0.36) S1PR1PTPN1ALOX5S1PR3PTGES
SCHEMBL22624922 0.91 KDM4E (0.38) S1PR1PPARGPPARASMN1; SMN2MAOB
SCHEMBL21735374 0.91 S1PR1 (0.37) S1PR1ALOX5S1PR3PTGES
SCHEMBL21735369 0.91 S1PR1 (0.37) S1PR1ALOX5S1PR3PPARAPTGES
SCHEMBL21734942 0.90 S1PR1 (0.42) S1PR1PTPN1ALOX5S1PR3PPARG
SCHEMBL22624935 0.85 STS (0.34) S1PR1S1PR3MAOBFPR1
SCHEMBL21735057 0.84 S1PR1 (0.43) S1PR1PTPN1ALOX5S1PR3PPARG
SCHEMBL22624927 0.84 NPC1 (0.34) S1PR1S1PR3SMN1; SMN2MAOBFPR1
SCHEMBL21734988 0.84 PPARG (0.34) PPARGPPARASMN1; SMN2OPRM1
SCHEMBL21734936 0.83 THRB (0.38) S1PR1PTPN1ALOX5S1PR3PTGES

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 3951/4885PTPN1 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.