SCHEMBL4636049

SCHEMBL4636049

CNCCCc1ccc(O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.76
TMEM97 Q5BJF2 1/20 0.76
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ESR1 P03372 3/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
TACR2 P21452 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SHBG P04278 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSPD1 P10809 1/20 0.55
ADRB3 P13945 1/20 0.55

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
SCHEMBL12305662 0.94 SIGMAR1 (0.73) SIGMAR1TMEM97MEN1KMT2AESR1
SCHEMBL14178223 0.89 MEN1 (0.74) SIGMAR1TMEM97MEN1KMT2AKDM4E
SCHEMBL274906 0.86 TMEM97 (1.00) SIGMAR1TMEM97ESR1ADRA2ASLC6A2
SCHEMBL11539730 0.84 TMEM97 (0.95) SIGMAR1TMEM97ESR1ADRA2ASLC6A2
Hydrochloric Acid SCHEMBL5115776 0.84 TMEM97 (0.95) SIGMAR1TMEM97KMT2AESR1SLC6A2
Bromide SCHEMBL6337077 0.84 TMEM97 (0.95) SIGMAR1TMEM97ESR1ADRA2ASLC6A2
Hydrochloric Acid SCHEMBL27960798 0.83 TMEM97 (0.91) SIGMAR1TMEM97KMT2AESR1SLC6A2
Hydrochloric Acid SCHEMBL28659483 0.83 TMEM97 (0.91) SIGMAR1TMEM97ESR1ADRA2ASLC6A2
SCHEMBL7031436 0.80 MEN1 (0.63) SIGMAR1TMEM97MEN1KMT2AL3MBTL1
SCHEMBL11486199 0.79 ESR1 (0.57) SIGMAR1TMEM97ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114058655-A Method for synthesizing (R) -acetamidophenylpropanol by enzyme-chemical one-pot method 青岛科技大学 2022-02-18 CN disclosed
CN-114058655-A Method for synthesizing (R) -acetamidophenylpropanol by enzyme-chemical one-pot method 青岛科技大学 2022-02-18 CN disclosed
US-20090221702-A1 COMPOUNDS IMPERIAL INNOVATIONS LIMITED (GB) 2009-09-03 US disclosed
US-20090221702-A1 COMPOUNDS IMPERIAL INNOVATIONS LIMITED (GB) 2009-09-03 US disclosed
EP-1879562-A2 PHENOL DERIVATIVES AND THEIR USE TO MODULATE PKB ACTIVITY Imperial Innovations Limited (GB) 2008-01-23 EP disclosed
WO-2006097744-A2 PHENOL DERIVATIVES AND THEIR USE TO MODULATE PKB ACTIVITY IMPERIAL INNOVATIONS LIMITED (GB) 2006-09-21 WO disclosed
CN-1082042-C Method for synthesizing lecdopamine CHENGDU ORGANIC CHEM INST (CN) 2002-04-03 CN disclosed
CN-1073983-C Method for synthesis of beta-adrenomimetic excitant type fodder additive CHENGDU ORGANIC CHEM INST (CN) 2001-10-31 CN disclosed
CN-1174830-A Method for synthesizing lecdopamine CHENGDU ORGANIC CHEM INST (CN) 1998-03-04 CN disclosed
CN-1116620-A Method for synthesis of beta-adrenomimetic excitant type fodder additive CHENGDU ORGANIC CHEM INST (CN) 1996-02-14 CN disclosed
EP-0117647-A1 Improvements in or relating to phenethanolamines ELI LILLY AND COMPANY (US) 1984-09-05 EP disclosed
EP-0007205-A1 Optically active phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 EP disclosed
EP-0007204-A1 Phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 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-20090221702-A1 COMPOUNDS NCEH1, NME2, HRH3 SIGMAR1 415/4885TMEM97 1016/4885MEN1 550/4885

“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.