SCHEMBL4601609

SCHEMBL4601609

CC(C)(c1ccccc1Cl)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
PDK1 Q15118 6/20 0.40
PDK2 Q15119 6/20 0.40
PDK3 Q15120 6/20 0.40
PDK4 Q16654 6/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 4/20 0.39
CYP19A1 P11511 1/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDO1 P14902 1/20 0.33
NR3C1 P04150 1/20 0.33
CCR6 P51684 1/20 0.33

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
SCHEMBL17232306 0.83 ALDH1A1 (0.40) PDK1PDK2PDK3PDK4TSHR
SCHEMBL13617971 0.81 KCNN4 (0.45) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL803006 0.81 KCNN4 (0.45) KCNN4TSHRLMNAHSD11B1CYP19A1
SCHEMBL17109738 0.77 KCNN4 (0.42) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL3671355 0.76 KCNN4 (0.45) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL7571745 0.75 KCNN4 (0.48) KCNN4TSHRLMNAHSD11B1CYP19A1
SCHEMBL5966718 0.75 KCNN4 (0.48) KCNN4TSHRLMNAHSD11B1CYP19A1
SCHEMBL78489 0.75 TSHR (0.50) KCNN4TSHRLMNAHSD11B1CYP19A1
SCHEMBL809831 0.75 KCNN4 (0.48) KCNN4PDK2TSHRLMNAHSD11B1
SCHEMBL29467226 0.75 KCNN4 (0.48) KCNN4TSHRLMNAHSD11B1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489064-B1 Preparation of fluorinated acetophenones SALTIGO GMBH (DE) 2008-04-16 EP disclosed
US-7148384-B2 Preparation of fluorinated acetophenones BAYER AKTIENGESELLSCHAFT (DE) 2006-12-12 US disclosed
US-20050043559-A1 Preparation of fluorinated acetophenones LANXESS DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1489064-A1 Preparation of fluorinated acetophenones Bayer Chemicals AG (DE) 2004-12-22 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-20050043559-A1 Preparation of fluorinated acetophenones GNPAT, HNF4A, FAH KCNN4 3760/4885PDK1 2033/4885PDK2 1172/4885

“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.