SCHEMBL21735755

SCHEMBL21735755

C=CC(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
S1PR1 P21453 2/20 0.32
ACHE P22303 2/20 0.31
S1PR3 Q99500 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
AR P10275 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
SCHEMBL21735064 0.92 THRB (0.36) THRBS1PR1ACHES1PR3HPGD
SCHEMBL22625179 0.91 THRB (0.35) THRBS1PR1ACHE
SCHEMBL21735733 0.91 S1PR1 (0.37) THRBS1PR1ACHE
SCHEMBL21735730 0.90 THRB (0.35) THRBS1PR1ACHES1PR3
SCHEMBL21735744 0.90 S1PR1 (0.34) S1PR1ACHES1PR3TSHRAR
SCHEMBL21735269 0.89 THRB (0.35) THRBS1PR1S1PR3
SCHEMBL21735247 0.89 S1PR1 (0.41) THRBS1PR1ACHES1PR3HPGD
SCHEMBL26291509 0.89 THRB (0.39) THRBS1PR1ACHES1PR3
SCHEMBL21735104 0.88 THRB (0.34) THRBS1PR1
SCHEMBL26292433 0.87 THRB (0.42) THRBS1PR1ACHES1PR3HPGD

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 3951/4885ACHE 895/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885S1PR1 3951/4885ACHE 895/4885

“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.