SCHEMBL5752650

SCHEMBL5752650

CC(C)C(F)(F)Cc1ccc(CC(C(=O)O)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.45
ADRB1 P08588 12/20 0.45
ADRB2 P07550 9/20 0.43
CYP2D6 P10635 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC2A1 P11166 2/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
GLA P06280 1/20 0.38
CNR1 P21554 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL5751830 0.86 ADRB3 (0.42) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL5751786 0.86 ADRB3 (0.46) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL5751590 0.82 ADRB3 (0.45) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL5751173 0.81 ADRB3 (0.46) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL5750161 0.79 ADRB3 (0.48) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL5749795 0.79 ADRB3 (0.43) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL5749680 0.79 KLK5 (0.45) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL5752090 0.76 CCR9 (0.43) ADRB3ADRB1ADRB2
SCHEMBL5753489 0.75 PTGER4 (0.37) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL5754506 0.74 ADRB3 (0.37) ADRB3ADRB1ADRB2ADRA1DADRA1A

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 ADRB3 85/4885ADRB1 57/4885ADRB2 177/4885

“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.