SCHEMBL6599643

SCHEMBL6599643

CC(C=O)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.56
ACACB O00763 1/20 0.49
EPHX1 P07099 1/20 0.46
SLC6A4 P31645 1/20 0.43
EPHX2 P34913 3/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
PTPN1 P18031 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
PDE2A O00408 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
GRM2 Q14416 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL9814988 0.85 TP53 (0.62) TSHRTP53ACACBSLC6A4PPARG
SCHEMBL20824973 0.85 TP53 (0.62) TSHRTP53ACACBSLC6A4PPARG
SCHEMBL1912504 0.80 ACACB (0.51) TSHRACACBEPHX1SLC6A4EPHX2
SCHEMBL9900714 0.79 SLC6A4 (0.58) TSHRTP53ACACBSLC6A4ALDH1A1
SCHEMBL30290019 0.79 SLC6A4 (0.58) TSHRTP53ACACBSLC6A4ALDH1A1
SCHEMBL113550 0.79 SLC6A4 (0.58) TSHRTP53ACACBSLC6A4ALDH1A1
SCHEMBL8283115 0.79 SLC6A4 (0.58) TSHRTP53ACACBSLC6A4ALDH1A1
SCHEMBL25252393 0.77 TP53 (0.71) TSHRTP53EPHX2PPARGPPARA
SCHEMBL16379333 0.77 TP53 (0.71) TSHRTP53EPHX2PPARGPPARA
SCHEMBL25215174 0.77 TP53 (0.71) TSHRTP53EPHX2PPARGPPARA

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-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides KUREHA CORPORATION (JP) 2004-08-05 US disclosed
EP-1375483-A1 6-CHLORO-3-PYRIDYLMETHYLPROPYLAMINE DERIVATIVES, PREPARATION PROCESS THEREOF AND BACTERICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-01-02 EP 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-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides PGLS, TLR6, UROD TSHR 3142/4885TP53 3860/4885ACACB 4564/4885

“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.