SCHEMBL5207477

SCHEMBL5207477

COCCOCOc1ccc(OCC2CO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TSHR P16473 4/20 0.57
TP53 P04637 3/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HIF1A Q16665 2/20 0.57
CYP1A2 P05177 1/20 0.57
PPARG P37231 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
PKM P14618 2/20 0.54
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 1/20 0.50
GLA P06280 1/20 0.44
CTNNB1 P35222 1/20 0.43
DRD4 P21917 3/20 0.39
FGFR1 P11362 1/20 0.37

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
SCHEMBL4431581 0.88 ALDH1A1 (0.62) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL4441325 0.88 ALDH1A1 (0.62) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL4554045 0.88 ALDH1A1 (0.62) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL10500015 0.88 ALDH1A1 (0.62) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL7294548 0.86 ALDH1A1 (0.53) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL21638946 0.84 TDP1 (0.66) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL14088749 0.84 TDP1 (0.70) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL15835684 0.83 ALDH1A1 (0.57) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL21266631 0.83 ALDH1A1 (0.57) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL15838963 0.83 ALDH1A1 (0.57) ALDH1A1TSHRTP53MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
US-6867220-B2 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-15 US disclosed
US-6649627-B1 N-Substituted with 1- (pyrid-2-yl)-piperidine-4-yl radical; gastrointestinal and psychological disorder treatment; antidiabetic tocolytic, and antidepressant agents; irritable bowel syndrome, glaucoma and dysmenorrhoea SANOFI-SYNTHELABO (FR) 2003-11-18 US disclosed
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them SANOFI-AVENTIS (FR) 2003-02-27 US disclosed
EP-1242083-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2002-09-25 EP disclosed
EP-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
WO-2001043744-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed
EP-1087961-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2001-04-04 EP disclosed
WO-1999065895-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 1999-12-23 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-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them CNR1, CORO1C, CBR1 ALDH1A1 1619/4885TSHR 724/4885TP53 4098/4885

“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.