SCHEMBL3887176

SCHEMBL3887176

CC(C)(COCC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 1/20 0.50
TAAR1 Q96RJ0 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 2/20 0.44
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNN4 O15554 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL18286244 0.83 FFAR1 (0.43) CYP2C19HIF1ASMN1; SMN2KMT2AMAPK1
SCHEMBL3588713 0.81 CYP2C19 (0.47) CYP2C19HIF1ATAAR1ALOX15MAPT
SCHEMBL42638 0.81 TAAR1 (0.58) CYP2C19HIF1ATAAR1ALOX15MAPT
SCHEMBL8034200 0.78 HIF1A (0.47) CYP2C19HIF1ATAAR1ALOX15MAPT
Tert-Butylbenzene SCHEMBL27598490 0.78 SMN1; SMN2 (0.54) CYP2C19HIF1ASMN1; SMN2ALOX15MAPT
SCHEMBL27899194 0.77 SMN1; SMN2 (0.46) CYP2C19SMN1; SMN2POLBCYP3A4GRIN2D
SCHEMBL111213 0.77 ALDH1A1 (0.50) CYP2C19HIF1ATAAR1ALOX15MAPT
SCHEMBL23560684 0.77 CYP2C19 (0.55) CYP2C19HIF1ATAAR1ALOX15MAPT
SCHEMBL11268748 0.76 ALDH1A1 (0.48) CYP2C19HIF1ATAAR1SMN1; SMN2ALOX15
SCHEMBL4590400 0.76 MAPT (0.50) CYP2C19HIF1ATAAR1SMN1; SMN2ALOX15

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 CYP2C19 1121/4885HIF1A 813/4885TAAR1 116/4885

“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.