SCHEMBL20580465

SCHEMBL20580465

CCCCCCCCC[CH]OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
FAAH O00519 8/20 0.40
CES1 P23141 3/20 0.40
TRPV1 Q8NER1 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SOAT1 P35610 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.35
DNM1 Q05193 3/20 0.35
CES2 O00748 1/20 0.34

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
SCHEMBL8986844 1.00 TSHR (0.41) TSHRFAAHCES1TRPV1LPAR1
SCHEMBL3397854 0.83 TSHR (0.38) TSHRFAAHCES1TRPV1LPAR1
SCHEMBL4493952 0.79 TSHR (0.42) TSHRFAAHTRPV1THRBMEN1
SCHEMBL4498202 0.79 TSHR (0.42) TSHRFAAHTRPV1THRBMEN1
SCHEMBL4501230 0.79 TSHR (0.42) TSHRFAAHTRPV1THRBMEN1
SCHEMBL4505586 0.79 TSHR (0.42) TSHRFAAHTRPV1THRBMEN1
SCHEMBL4506940 0.79 TSHR (0.42) TSHRFAAHTRPV1THRBMEN1
SCHEMBL2152771 0.79 TSHR (0.42) TSHRFAAHTRPV1THRBMEN1
SCHEMBL1118641 0.78 FAAH (0.46) FAAHCES1TRPV1MEN1TP53
SCHEMBL10866366 0.77 FAAH (0.33) TSHRFAAHCES1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180352814-A1 OXADIAZOLE COMPOUNDS AND USE FOR SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-12-13 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 (1 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-20180352814-A1 OXADIAZOLE COMPOUNDS AND USE FOR SAME OXER1, NR4A3, NOX3 TSHR 193/4885FAAH 4621/4885CES1 2354/4885

“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.