SCHEMBL21735640

SCHEMBL21735640

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
S1PR1 P21453 2/20 0.32
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
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PDK2 Q15119 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
SCHEMBL21735796 0.88 PPARG (0.34) PPARGPPARAS1PR1
SCHEMBL21735638 0.87 THRB (0.39) PPARGPPARAS1PR1
SCHEMBL22629133 0.86 PPARG (0.33) PPARGPPARAS1PR1
SCHEMBL22628835 0.84 THRB (0.36) PPARGPPARAS1PR1
SCHEMBL21735795 0.81 PCSK9 (0.32) PPARAS1PR1
SCHEMBL22628834 0.81 CA1 (0.33) PPARGPPARA
SCHEMBL21735848 0.81 PPARG (0.43) PPARGPPARACYP3A4CASP3SENP8
SCHEMBL21735786 0.80 PPARG (0.35) PPARGPPARAS1PR1
SCHEMBL21735102 0.80 THRB (0.38) PPARGPPARA
SCHEMBL21735847 0.78 HTR2A (0.39) PPARGPPARACASP3SENP8SENP7

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 PPARG 749/4885PPARA 581/4885S1PR1 3951/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PPARG 749/4885PPARA 581/4885S1PR1 3951/4885

“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.