SCHEMBL21735388

SCHEMBL21735388

C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 2/20 0.40
PTPN1 P18031 1/20 0.38
ALOX5 P09917 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
PTGES O14684 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
FPR1 P21462 1/20 0.32

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
SCHEMBL21735386 0.94 S1PR1 (0.39) S1PR1S1PR3PTPN1ALOX5MAOA
SCHEMBL21735370 0.92 S1PR1 (0.45) S1PR1S1PR3PTPN1ALOX5MAOA
SCHEMBL22625323 0.91 MAOB (0.41) S1PR1MAOAMAOBCA12CA1
SCHEMBL21735416 0.91 S1PR1 (0.41) S1PR1S1PR3ALOX5MAOAMAOB
SCHEMBL21735387 0.91 S1PR1 (0.44) S1PR1S1PR3PTPN1ALOX5MAOA
SCHEMBL21735401 0.91 S1PR1 (0.40) S1PR1S1PR3ALOX5MAOAMAOB
SCHEMBL21735243 0.90 S1PR1 (0.46) S1PR1S1PR3PTPN1ALOX5MAOA
SCHEMBL21734970 0.90 S1PR1 (0.42) S1PR1S1PR3PTPN1ALOX5MAOA
SCHEMBL21735110 0.89 S1PR1 (0.36) S1PR1PTPN1ALOX5PPARAPPARG
SCHEMBL21735846 0.87 S1PR1 (0.43) S1PR1S1PR3PTPN1ALOX5MAOA

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 2314/4885PTPN1 4838/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885S1PR3 2314/4885PTPN1 4838/4885

“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.