SCHEMBL5749658

SCHEMBL5749658

Cc1cc(C)cc(OC(F)(F)C(C)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.32
EPAS1 Q99814 1/20 0.32
GRIN2B Q13224 1/20 0.31
TP53 P04637 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
GPR3 P46089 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL25875529 0.86 EPAS1 (0.31) EPAS1
SCHEMBL25875492 0.79 ACHE (0.50) ALDH1A1MAPK1TDP1LMNAGPR3
SCHEMBL879205 0.78 GPR3 (0.44) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL25875532 0.78 CHRNB1 (0.34) CYP3A4
SCHEMBL25875489 0.77 ACHE (0.42) ALDH1A1TSHRCYP3A4TDP1LMNA
SCHEMBL25875527 0.76 PGR (0.31)
SCHEMBL12285755 0.75 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL816347 0.73 GPR3 (0.44) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL15121170 0.72 ACHE (0.31)
SCHEMBL25875503 0.72 TDP1 (0.38) ALDH1A1MAPK1TDP1SMN1; SMN2LMNA

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-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

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 ALDH1A1 783/4885TSHR 3729/4885CYP3A4 775/4885

“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.