SCHEMBL6735343

SCHEMBL6735343

CCOC(CC(C=O)c1ccccc1OC(F)(F)F)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.37
KCNK9 Q9NPC2 3/20 0.37
GAA P10253 1/20 0.33
APP P05067 1/20 0.33
F2R P25116 1/20 0.33
PPARG P37231 3/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PDE2A O00408 1/20 0.32
EPHX2 P34913 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31
FFAR1 O14842 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 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
SCHEMBL27907690 0.81 KCNK3 (0.37) KCNK3KCNK9GAAAPPF2R
SCHEMBL6736066 0.79 AR (0.33) KCNK3KCNK9PPARGPPARDPPARA
SCHEMBL6737194 0.78 KCNK3 (0.39) KCNK3KCNK9GAAF2RPPARG
SCHEMBL27643692 0.77 CYP2D6 (0.36) KCNK3KCNK9GAAPPARGPPARD
SCHEMBL6195357 0.75 KCNK3 (0.34) KCNK3KCNK9GAAHDAC3HDAC1
SCHEMBL6195588 0.75 KCNK3 (0.32) KCNK3KCNK9PPARGPPARDPPARA
SCHEMBL27624241 0.72 KCNK3 (0.44) KCNK3KCNK9GAAAPPPPARG
SCHEMBL6193631 0.71 MEN1 (0.37) KCNK3KCNK9GAAPPARGPPARD
SCHEMBL5608059 0.69 KCNK3 (0.38) KCNK3KCNK9GAAPPARGPPARD
SCHEMBL21524345 0.69 KCNK3 (0.40) KCNK3KCNK9F2RPPARGALDH1A1

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-20040072839-A1 1-Phenylalkylpiperazines RECORDATI S.A. (CH) 2004-04-15 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-20040072839-A1 1-Phenylalkylpiperazines HTR5A, HTR1A, HTR1D KCNK3 1292/4885KCNK9 2812/4885GAA 3497/4885

“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.