SCHEMBL21735458

SCHEMBL21735458

C=CC(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.41
S1PR1 P21453 6/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
THRA P10827 2/20 0.33
PTGES O14684 2/20 0.32
ALOX5 P09917 2/20 0.32
PPARG P37231 2/20 0.32
S1PR3 Q99500 5/20 0.31
S1PR4 O95977 2/20 0.31
S1PR5 Q9H228 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
SMN1; SMN2 Q16637 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
SCHEMBL22628950 0.92 THRB (0.41) THRBS1PR1HPGDTSHRTHRA
SCHEMBL21735445 0.92 THRB (0.42) THRBS1PR1HPGDTSHRTHRA
SCHEMBL21735296 0.91 THRB (0.40) THRBS1PR1HPGDTSHRTHRA
SCHEMBL22625333 0.91 THRB (0.40) THRBS1PR1HPGDTSHRTHRA
SCHEMBL21735793 0.90 THRB (0.39) THRBS1PR1HPGDTSHRTHRA
SCHEMBL21735316 0.90 THRB (0.41) THRBS1PR1HPGDTSHRPTGES
SCHEMBL21735449 0.89 S1PR1 (0.37) THRBS1PR1TSHRTHRAPTGES
SCHEMBL22628893 0.88 THRB (0.47) THRBS1PR1HPGDTSHRTHRA
SCHEMBL21735452 0.86 THRB (0.41) THRBS1PR1THRAPTGESALOX5
SCHEMBL21735423 0.86 THRB (0.41) THRBS1PR1THRAPTGESALOX5

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 THRB 3289/4885S1PR1 3951/4885HPGD 189/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885S1PR1 3951/4885HPGD 189/4885

“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.