SCHEMBL3889435

SCHEMBL3889435

CC(C)(Cc1ccccc1)OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MMP8 P22894 3/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.42
AKR1B1 P15121 1/20 0.42
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CTSK P43235 1/20 0.41
POLB P06746 2/20 0.41
TRPA1 O75762 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL20262204 0.84 CTBP2 (0.43) PPARGPPARACYP3A4ALDH1A1POLB
SCHEMBL18928708 0.82 KEAP1 (0.46) PAMSMN1; SMN2ALDH1A1CYP2C19ALOX15
SCHEMBL3885167 0.82 MMP8 (0.51) PAMSMN1; SMN2MMP8PPARGPPARA
SCHEMBL97087 0.79 SLC6A2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL97088 0.79 SLC6A2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL21596561 0.77 SLC6A2 (0.40) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL1003605 0.77 CTSK (0.49) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL1003604 0.77 CTSK (0.49) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL855037 0.77 CYP2C19 (0.52) PAMSMN1; SMN2HIF1AALDH1A1CYP2C19
SCHEMBL28653302 0.76 TAAR1 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8

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 PAM 534/4885SMN1; SMN2 4328/4885HIF1A 813/4885

“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.