SCHEMBL21735296

SCHEMBL21735296

C=CC(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.40
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
ALOX5 P09917 2/20 0.31
PPARG P37231 2/20 0.31
PTGES O14684 1/20 0.31
THRA P10827 1/20 0.31
PPARD Q03181 2/20 0.31
S1PR1 P21453 5/20 0.30
S1PR3 Q99500 5/20 0.30
S1PR4 O95977 2/20 0.30
S1PR5 Q9H228 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
PPARA Q07869 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
SCHEMBL21735316 0.93 THRB (0.41) THRBHPGDTSHRALOX5PPARG
SCHEMBL21735787 0.92 THRB (0.39) THRBHPGDTSHRPCSK9ALOX5
SCHEMBL21735458 0.91 THRB (0.41) THRBHPGDTSHRALOX5PPARG
SCHEMBL21735102 0.91 THRB (0.38) THRBPCSK9ALOX5PPARGPTGES
SCHEMBL21735445 0.90 THRB (0.42) THRBHPGDTSHRALOX5PPARG
SCHEMBL26291789 0.90 THRB (0.43) THRBPCSK9ALOX5PPARGPTGES
SCHEMBL21735681 0.90 POLB (0.33) THRBTSHRPCSK9ALOX5PPARG
SCHEMBL21735315 0.89 PCSK9 (0.33) PCSK9ALOX5PPARGPPARDS1PR1
SCHEMBL26292541 0.89 THRB (0.41) THRBHPGDTSHRPCSK9PPARG
SCHEMBL22630093 0.88 THRB (0.35) THRBHPGDTSHRPCSK9ALOX5

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 3289/4885HPGD 189/4885TSHR 3882/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885HPGD 189/4885TSHR 3882/4885

“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.