SCHEMBL21735338

SCHEMBL21735338

C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)oc2c1)CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.37
S1PR3 Q99500 2/20 0.37
PPARA Q07869 2/20 0.35
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
AR P10275 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
THRB P10828 1/20 0.31
PTPN1 P18031 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
SCHEMBL22625039 0.92 MAOB (0.36) S1PR1S1PR3PPARAMAOBMAOA
SCHEMBL21735336 0.92 S1PR1 (0.38) S1PR1S1PR3PPARAMAOBMAOA
SCHEMBL21735358 0.91 S1PR1 (0.42) S1PR1S1PR3PPARAMAOBMAOA
SCHEMBL21735330 0.90 S1PR1 (0.37) S1PR1S1PR3PPARAMAOBMAOA
SCHEMBL21735238 0.90 S1PR1 (0.38) S1PR1S1PR3PPARAMAOBMAOA
SCHEMBL21735334 0.90 THRB (0.40) S1PR1S1PR3PPARAMAOBMAOA
SCHEMBL22629935 0.89 S1PR1 (0.38) S1PR1S1PR3PPARAMAOBMAOA
SCHEMBL26291441 0.89 S1PR1 (0.41) S1PR1S1PR3PPARAMAOBMAOA
SCHEMBL21735114 0.88 S1PR1 (0.37) S1PR1S1PR3PPARAMAOBMAOA
SCHEMBL21735340 0.87 S1PR1 (0.30) S1PR1

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 3951/4885S1PR3 2314/4885PPARA 581/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885S1PR3 2314/4885PPARA 581/4885

“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.