SCHEMBL2440641

SCHEMBL2440641

CC(C)(C)C(=O)NCC(O)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.56
▸ TAAR1 Q96RJ0 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ NMUR2 Q9GZQ4 1/20 0.56
▸ NPC1 O15118 2/20 0.44
▸ ADRB2 P07550 2/20 0.44
▸ BCAT2 O15382 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ APEX1 P27695 1/20 0.42

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
SCHEMBL12788580 0.85 BCAT2 (0.62) TAAR1SMN1; SMN2KDM4ENPC1BCAT2
SCHEMBL18219783 0.82 BCAT2 (0.42) TAAR1SMN1; SMN2KDM4ENPC1ADRB2
SCHEMBL17469083 0.81 NPC1 (0.64) HIF1ATAAR1SMN1; SMN2TDP1KDM4E
SCHEMBL1553366 0.80 SMN1; SMN2 (0.51) HIF1ATAAR1SMN1; SMN2TDP1KDM4E
SCHEMBL2011966 0.80 SMN1; SMN2 (0.51) HIF1ATAAR1SMN1; SMN2TDP1KDM4E
SCHEMBL8379019 0.79 TAAR1 (0.58) HIF1ATAAR1SMN1; SMN2TDP1KDM4E
SCHEMBL8379013 0.79 TAAR1 (0.58) HIF1ATAAR1SMN1; SMN2TDP1KDM4E
SCHEMBL3649469 0.79 TAAR1 (0.58) HIF1ATAAR1SMN1; SMN2TDP1KDM4E
SCHEMBL6464765 0.75 HIF1A (0.68) HIF1ATAAR1SMN1; SMN2TDP1KDM4E
SCHEMBL30534867 0.75 HIF1A (0.68) HIF1ATAAR1SMN1; SMN2TDP1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1657235-B1 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates RANDOX LAB LTD (GB) 2011-09-21 — — EP disclosed
US-7192722-B2 Phenethanolamine-derived haptens, immunogens, antibodies and conjugates RANDOX LABORATORIES (GB) 2007-03-20 — — US disclosed
US-20060223132-A1 uses in competitive immunoassays for the detection of ractopamine, isoxsuprine and ritodrine RANDOX LABORATORIES LIMITED (GB) 2006-10-05 — — US disclosed
EP-1657235-A2 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates Randox Laboratories Ltd. (GB) 2006-05-17 — — 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-20060223132-A1 uses in competitive immunoassays for the detection of ractopamine, isoxsuprine and ritodrine HRH3, HRH4, HRH1 HIF1A 4255/4885TAAR1 143/4885SMN1; SMN2 4578/4885

“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.

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