SCHEMBL21735448

SCHEMBL21735448

C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
PLA2G4A P47712 2/20 0.32
THRB P10828 2/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR4 O95977 2/20 0.32
S1PR5 Q9H228 1/20 0.32
MTNR1A P48039 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 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
SCHEMBL21735449 0.92 S1PR1 (0.37) POLBAPEX1HTTTDP1TSHR
SCHEMBL22628856 0.92 POLB (0.32) POLBAPEX1HTTTDP1TSHR
SCHEMBL21735297 0.91 PPARG (0.35) POLBAPEX1HTTTDP1TSHR
SCHEMBL21734997 0.91 POLB (0.32) POLBAPEX1HTTTDP1TSHR
SCHEMBL21735681 0.90 POLB (0.33) POLBAPEX1HTTTDP1TSHR
SCHEMBL22628747 0.90 S1PR1 (0.33) PLA2G4ATHRBS1PR1S1PR3S1PR4
SCHEMBL21735445 0.89 THRB (0.42) TSHRTHRBS1PR1S1PR3S1PR4
SCHEMBL21735527 0.88 MEN1 (0.39) S1PR1S1PR3S1PR4S1PR5MEN1
SCHEMBL21735526 0.86 POLB (0.38) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL21735426 0.86 PLA2G4A (0.32) PLA2G4ATHRBS1PR1S1PR4S1PR5

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 POLB 3540/4885APEX1 649/4885HTT 118/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 POLB 3540/4885APEX1 649/4885HTT 118/4885

“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.