SCHEMBL9883179

SCHEMBL9883179

FC(F)(F)Sc1ccccc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.41
HSD11B1 P28845 2/20 0.37
FFAR4 Q5NUL3 1/20 0.35
RBP4 P02753 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31
GAA P10253 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL7668832 0.88 HTR2C (0.58) HTR2CSLC6A2
SCHEMBL1093485 0.76 HTR2C (0.38) HTR2CSLC6A2
SCHEMBL944179 0.76 APOBEC3G (0.39) HTR2CSLC6A2
SCHEMBL28745598 0.76 RBP4 (0.47) RBP4
SCHEMBL6116282 0.73 HTR2C (0.33) HTR2CALDH1A1PKMHPGDHTT
SCHEMBL105441 0.71 HTR2C (0.35) HTR2CSLC6A2
SCHEMBL3425103 0.69 CHRNB4 (0.50) HTR2CSLC6A2
SCHEMBL6940509 0.69 CHRNB4 (0.50) HTR2CSLC6A2
SCHEMBL944717 0.68 CETP (0.41) HTR2C
SCHEMBL5007618 0.68 HTR2C (0.75) HTR2CRBP4GAATDP1

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-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TOSOH F-TECH, INC. (JP) 2012-05-24 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-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TST, CBR3, CYP4B1 HTR2C 2879/4885HSD11B1 338/4885FFAR4 2740/4885

“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.