SCHEMBL21735040

SCHEMBL21735040

C=C(C)C(=O)OCC(C)(CSc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
S1PR1 P21453 1/20 0.36
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PTPN1 P18031 1/20 0.33
GPR55 Q9Y2T6 2/20 0.32
NAMPT P43490 1/20 0.32
FPR1 P21462 1/20 0.31
PTGES O14684 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GPR18 Q14330 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
SCHEMBL21735045 0.93 ALOX5 (0.30) ALOX5
SCHEMBL21735234 0.91 S1PR1 (0.31) S1PR1
SCHEMBL21735351 0.91 ALOX5 (0.37) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL21735044 0.90 ALOX5 (0.37) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL21735122 0.88 ALOX5 (0.36) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL26291549 0.87 ALOX5 (0.42) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL21735051 0.87 S1PR1 (0.43) ALOX5S1PR1PPARGPPARAPTPN1
SCHEMBL22625132 0.86 GPR55 (0.31) GPR55
SCHEMBL22630030 0.85 ALOX5 (0.37) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL21735734 0.85 S1PR1 (0.37) ALOX5S1PR1MAPTRXFP1PPARG

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 ALOX5 167/4885S1PR1 3951/4885MAPT 681/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALOX5 167/4885S1PR1 3951/4885MAPT 681/4885

“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.