SCHEMBL21734952

SCHEMBL21734952

C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 2/20 0.42
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ACHE P22303 4/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL21735246 0.92 S1PR1 (0.41) S1PR1S1PR3MAOAMAOBCA12
SCHEMBL21735243 0.91 S1PR1 (0.46) S1PR1S1PR3MAOAMAOBCA12
SCHEMBL22625294 0.91 MAOB (0.42) S1PR1S1PR3MAOAMAOBCA12
SCHEMBL21734962 0.91 S1PR1 (0.41) S1PR1S1PR3MAOAMAOBCA12
SCHEMBL21735416 0.90 S1PR1 (0.41) S1PR1S1PR3MAOAMAOBCA12
SCHEMBL21735839 0.90 S1PR1 (0.41) S1PR1S1PR3MAOAMAOBCA12
SCHEMBL22628737 0.90 S1PR1 (0.44) S1PR1S1PR3MAOAMAOBCA12
SCHEMBL21734951 0.89 S1PR1 (0.42) S1PR1S1PR3MAOAMAOBCA12
SCHEMBL22245872 0.88 S1PR1 (0.44) S1PR1S1PR3MAOAMAOBCA12
SCHEMBL21735462 0.88 S1PR1 (0.44) S1PR1S1PR3MAOAMAOBCA12

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 2314/4885MAOA 2922/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885S1PR3 2314/4885MAOA 2922/4885

“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.