SCHEMBL21735633

SCHEMBL21735633

CCc1ccccc1-c1cc2ccc(OCC(C)(COC(=O)C(C)CC(C)C)CC(F)(F)F)cc2s1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.31
PDK2 Q15119 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
S1PR4 O95977 1/20 0.30
CA2 P00918 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
SCHEMBL22630108 0.86 PDK2 (0.30) PDK2CYP17A1CYP2C9CYP2C19
SCHEMBL21735783 0.86 CA2 (0.31) PDK2CA2
SCHEMBL21735529 0.85 FGFR1 (0.31) GPR3
SCHEMBL22628971 0.83
SCHEMBL22628845 0.80 S1PR1 (0.32) CYP17A1CYP2C9CYP2C19NR1H4
SCHEMBL21735849 0.80 LNPEP (0.32)
SCHEMBL22628844 0.76 NR1H4 (0.38) NR1H4
SCHEMBL22629903 0.76 S1PR1 (0.31) CYP17A1CYP2C9CYP2C19S1PR4
SCHEMBL21735765 0.74 CA2 (0.32) PDK2NR1H4CA2
SCHEMBL21735779 0.73 NR1H4 (0.38) NR1H4CA2

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 GPR3 448/4885PDK2 3949/4885CYP17A1 3420/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 GPR3 448/4885PDK2 3949/4885CYP17A1 3420/4885

“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.