SCHEMBL6579476

SCHEMBL6579476

CC(C)(C)OC(=O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.40
TACR1 P25103 3/20 0.40
KLK7 P49862 6/20 0.38
RORC P51449 3/20 0.36
KLK5 Q9Y337 5/20 0.36
POLB P06746 1/20 0.36
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL5751613 0.85 KCNN4 (0.39) KCNN4KDM4EALDH1A1
SCHEMBL5749376 0.85 KDM4E (0.37) KLK7RORCKLK5PRSS1PRSS2
SCHEMBL5749959 0.80 KLK7 (0.38) KLK7RORCKLK5PRSS1PRSS2
SCHEMBL5752913 0.80 MDM2 (0.43) KCNN4TACR1
SCHEMBL7124727 0.76 TACR1 (0.34) KCNN4TACR1KLK7KLK5
SCHEMBL5752174 0.75 CES2 (0.37) RORC
SCHEMBL5755094 0.71 CETP (0.37) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL7118804 0.70 CYP3A4 (0.39) KDM4EALDH1A1
SCHEMBL5752580 0.70 FADS1 (0.44) RORC
SCHEMBL5753504 0.69 HCRTR1 (0.37) KLK7KLK5ALDH1A1

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-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP KCNN4 4807/4885TACR1 2291/4885KLK7 4542/4885

“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.