SCHEMBL30294100

SCHEMBL30294100

C=CC(=O)OCC(F)(F)CCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
CES2 O00748 2/20 0.42
THRB P10828 3/20 0.41
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
THRA P10827 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
FAAH O00519 7/20 0.37
CES1 P23141 5/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL30294081 1.00 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30294108 1.00 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30294082 0.86 TSHR (0.48) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30294079 0.86 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21392010 0.83 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30294074 0.83 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30294078 0.83 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL18737331 0.82 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL22420109 0.82 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21166449 0.82 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53

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
EP-4166580-A1 FLUORINE-CONTAINING COMPOUND Daikin Industries, Ltd. (JP) 2023-04-19 EP disclosed
US-20230104378-A1 FLUORINE-CONTAINING COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2023-04-06 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-20230104378-A1 FLUORINE-CONTAINING COMPOUND AFF1, AFF2, FXR1 TSHR 1697/4885HPGD 4189/4885ALDH1A1 2656/4885

“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.