SCHEMBL5752090

SCHEMBL5752090

CC(C)(C)c1cccc(CC(C(=O)O)C(O)c2cccc(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.43
BCHE P06276 4/20 0.43
BACE1 P56817 3/20 0.42
ADRB3 P13945 5/20 0.41
ADRB1 P08588 4/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.39
KIF11 P52732 2/20 0.38
PKM P14618 1/20 0.38
CTSB P07858 1/20 0.38
PNMT P11086 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
SCHEMBL5751173 0.89 ADRB3 (0.46) ADRB3ADRB1ADRB2
SCHEMBL5751786 0.82 ADRB3 (0.46) ADRB3ADRB1MEN1KMT2AADRB2
SCHEMBL5751748 0.81 PNMT (0.47) CCR9BCHEBACE1ADRB1KIF11
SCHEMBL5749795 0.81 ADRB3 (0.43) ADRB3ADRB1MEN1KMT2AADRB2
SCHEMBL5753519 0.81 ADRB3 (0.46) ADRB3ADRB1ADRB2PKM
SCHEMBL5751590 0.81 ADRB3 (0.45) ADRB3ADRB1ADRB2
SCHEMBL5750161 0.79 ADRB3 (0.48) ADRB3ADRB1ADRB2
SCHEMBL5753040 0.77 ADRB3 (0.44) ADRB3ADRB1
SCHEMBL5752844 0.76 SLC1A1 (0.45) BACE1ADRB1KIF11
SCHEMBL5752650 0.76 ADRB3 (0.45) ADRB3ADRB1ADRB2

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 CCR9 3706/4885BCHE 334/4885BACE1 835/4885

“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.