SCHEMBL5752843

SCHEMBL5752843

COC(=O)c1cc(OC(F)(F)C(F)F)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CHRNA4 P43681 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMPD1 P17405 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAPT P10636 2/20 0.34
GPR65 Q8IYL9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX3 P56373 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TP53 P04637 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
SCHEMBL23930577 0.81 CHRNA4 (0.38) NR1H2NR1H3CHRNA4ALDH1A1SMPD1
SCHEMBL1536321 0.79 CHRNA4 (0.52) CHRNA4ALDH1A1SMPD1MAPTKDM4E
SCHEMBL9963198 0.76 CHRNA4 (0.39) NR1H2NR1H3CHRNA4ALDH1A1SMPD1
SCHEMBL6966899 0.76 KDM4E (0.42) CHRNA4ALDH1A1SMPD1NOTUMMAPT
SCHEMBL19556161 0.76 HTT (0.40) ALDH1A1NOTUMMAPTKDM4ELMNA
SCHEMBL9111559 0.74 SMPD1 (0.40) NR1H2NR1H3CHRNA4ALDH1A1SMPD1
SCHEMBL27871007 0.74 NOTUM (0.41) NR1H2NR1H3ALDH1A1NOTUMMAPT
SCHEMBL7896956 0.73 SMPD1 (0.50) NR1H2NR1H3CHRNA4ALDH1A1SMPD1
SCHEMBL7311748 0.72 SMPD1 (0.46) NR1H2NR1H3CHRNA4ALDH1A1SMPD1
SCHEMBL9113854 0.71 SMPD1 (0.40) NR1H2NR1H3CHRNA4SMPD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP NR1H2 16/4885NR1H3 13/4885CHRNA4 3479/4885

“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.