SCHEMBL21735847

SCHEMBL21735847

CCCCCc1ccc(-c2cc3ccc(OC)cc3s2)c(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
CRHR1 P34998 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
HPGD P15428 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 2/20 0.33
CSNK1D P48730 1/20 0.33
GAA P10253 1/20 0.33
CLK1 P49759 1/20 0.33
APOBEC3A P31941 1/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL21735848 0.89 PPARG (0.43) HTR2APPARGPPARACASP3SENP8
SCHEMBL26292240 0.89 PCSK9 (0.35) PPARGPPARAPCSK9
SCHEMBL25901064 0.88 PCSK9 (0.36) PPARGPPARAPCSK9CSNK1D
SCHEMBL23395687 0.87 PCSK9 (0.36) PPARGPPARAPCSK9CSNK1D
SCHEMBL21735525 0.87 ESR1 (0.45) PPARGPPARAPCSK9PTGS2
SCHEMBL25896937 0.87 PCSK9 (0.35) PPARGPPARAPCSK9
SCHEMBL26291787 0.85 THRB (0.33) PCSK9
SCHEMBL23395721 0.84 PCSK9 (0.34) PPARGPPARAPCSK9
SCHEMBL21735605 0.84 MEN1 (0.37) PPARGPCSK9
SCHEMBL26291755 0.82 PCSK9 (0.33) PCSK9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 EP disclosed
EP-3889135-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3583092-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-26 EP disclosed
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 (3 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 HTR2A 2903/4885CRHR1 4784/4885PPARG 749/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D HTR2A 3858/4885CRHR1 4573/4885PPARG 1181/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 HTR2A 2903/4885CRHR1 4784/4885PPARG 749/4885

“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.