SCHEMBL5755554

SCHEMBL5755554

CCOc1cccc(CC(N)C(O)c2ccc(Cl)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
PNMT P11086 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DHFR P00374 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL5753534 0.82 PPARG (0.46) TP53PPARGPPARAALDH1A1LMNA
SCHEMBL5752100 0.81 MAPK1 (0.46) PPARGPPARAALDH1A1LMNASMN1; SMN2
SCHEMBL5750432 0.80 CETP (0.49)
SCHEMBL5752386 0.76 PNMT (0.42) TAAR1PNMTSLC2A1
SCHEMBL14835562 0.76 TAAR1 (0.49) TAAR1TP53CYP3A4DHFRSMN1; SMN2
SCHEMBL31474675 0.75 TP53 (0.50) TAAR1TP53CYP3A4ALDH1A1DHFR
SCHEMBL14478199 0.75 TAAR1 (0.69) TAAR1TP53CYP3A4PNMT
SCHEMBL23343814 0.73 CHRM2 (0.49) TAAR1TP53CYP3A4ALDH1A1LMNA
SCHEMBL1416723 0.73 CHRM2 (0.49) TAAR1TP53CYP3A4ALDH1A1LMNA
SCHEMBL5752681 0.73 CYP17A1 (0.44) TAAR1ALDH1A1LMNAMEN1KMT2A

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 TAAR1 489/4885TP53 4608/4885CYP3A4 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.