SCHEMBL3885167

SCHEMBL3885167

CCOC(=O)COC(C)(C)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
PPID Q08752 1/20 0.49
ALDH1A1 P00352 2/20 0.48
RECQL P46063 1/20 0.48
ABCB1 P08183 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
HSD11B1 P28845 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NLRP3 Q96P20 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
TSHR P16473 1/20 0.40
PAM P19021 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
SCHEMBL3889435 0.82 PAM (0.46) MMP8ALDH1A1RECQLSMN1; SMN2POLB
SCHEMBL2523535 0.81 ALDH1A1 (0.44) MMP8PPIDALDH1A1ABCB1SMN1; SMN2
SCHEMBL10334914 0.81 POLB (0.50) PPIDALDH1A1ABCB1SMN1; SMN2HSD11B1
SCHEMBL28653302 0.77 TAAR1 (0.50) MMP8ALDH1A1RECQLSMN1; SMN2PPARG
SCHEMBL9037437 0.76 MMP8 (0.52) MMP8PPIDALDH1A1RECQLABCB1
SCHEMBL3078236 0.76 SMN1; SMN2 (0.49) PPIDALDH1A1ABCB1SMN1; SMN2HSD11B1
SCHEMBL15260924 0.75 MMP8 (0.55) MMP8PPIDALDH1A1RECQLSMN1; SMN2
SCHEMBL7830268 0.75 MMP8 (0.55) MMP8PPIDALDH1A1RECQLSMN1; SMN2
SCHEMBL5750562 0.75 MMP8 (0.51) MMP8PPIDALDH1A1RECQLABCB1
SCHEMBL21071956 0.74 ALDH1A1 (0.43) MMP8PPIDALDH1A1ABCB1SMN1; SMN2

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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A MMP8 1184/4885PPID 4420/4885ALDH1A1 2322/4885

“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.