SCHEMBL7243289

SCHEMBL7243289

OCc1c[c]ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
ELANE P08246 4/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 2/20 0.43
LIPE Q05469 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
ABCB1 P08183 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
SCHEMBL28317762 0.84 TSHR (0.48) HTR1ADRD2LMNALIPEMAPT
SCHEMBL27684708 0.84 HTR1A (0.47) HTR1ADRD2LMNALIPEMAPT
SCHEMBL183414 0.81 MAPT (0.48) HTR1ADRD2LMNALIPEMAPT
SCHEMBL6996715 0.80 APP (0.47) HTR1ADRD2LMNALIPEMAPT
SCHEMBL692555 0.79 HTR1A (0.67) HTR1ADRD2ELANEF2LMNA
SCHEMBL28860396 0.79 HTR1A (0.46) HTR1ADRD2LIPEMAPTTDP1
SCHEMBL1616224 0.78 MAPT (0.55) HTR1ADRD2LIPEMAPTTDP1
SCHEMBL5315646 0.77 APP (0.47) HTR1ADRD2LIPEMAPTTDP1
SCHEMBL1099955 0.77 MAPT (0.44) HTR1ADRD2LIPEMAPTTDP1
SCHEMBL7003209 0.77 APP (0.47) HTR1ADRD2LMNALIPEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522631-B Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the ss2 adrenergic receptor ALMIRALL LAB 2013-06-12 CN disclosed
CN-101218203-B Fluorinated derivatives of 4- (2-amino-1-hydroxyethyl) phenol as beta 2 adrenoreceptor agonists ALMIRALL SA 2012-05-30 CN disclosed
CN-101522631-A Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the ss2 adrenergic receptor ALMIRALL LAB (ES) 2009-09-02 CN disclosed
CN-101218203-A Derivatives of 4-(2-amino-1-hydroxyethyl) phenol as agonists of the ss2 adrenergic receptor ALMIRALL PRODESFARMA SA (ES) 2008-07-09 CN disclosed
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 US disclosed
EP-1254885-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS Asahi Kasei Kabushiki Kaisha (JP) 2002-11-06 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-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C HTR1A 2261/4885DRD2 41/4885ELANE 4268/4885

“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.