SCHEMBL3573225

SCHEMBL3573225

Cc1cccc(OCC(CO)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
AAK1 Q2M2I8 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3573224 1.00 ADRB2 (0.47) ADRB2ADRB1AAK1SMN1; SMN2HDAC3
SCHEMBL19382648 0.86 ATM (0.51) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3566335 0.84 SMN1; SMN2 (0.51) ADRB2ADRB1SMN1; SMN2KMT2APOLB
SCHEMBL14134838 0.83 PPARA (0.52) ADRB2ADRB1SMN1; SMN2
SCHEMBL3574358 0.82 PPARG (0.53) ADRB2ADRB1HDAC3HDAC4HDAC1
SCHEMBL3575868 0.81 HPGD (0.47) ADRB2ADRB1AAK1SMN1; SMN2HDAC3
SCHEMBL30343071 0.81 AAK1 (0.62) AAK1SMN1; SMN2HDAC3HDAC6KMT2A
SCHEMBL22116003 0.81 AAK1 (0.62) AAK1SMN1; SMN2HDAC3HDAC6KMT2A
SCHEMBL6835384 0.80 ATM (0.54) KMT2AATMPOLBALDH1A1LMNA
SCHEMBL6835385 0.80 ATM (0.54) KMT2AATMPOLBALDH1A1LMNA

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 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-20060270693-A1 Ether derivative UROD, IL5, IL17A ADRB2 405/4885ADRB1 493/4885AAK1 3215/4885

“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.