SCHEMBL322007

SCHEMBL322007

CCOCCOc1ccc(OCC2CO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TP53 P04637 3/20 0.57
TSHR P16473 3/20 0.57
MAPT P10636 2/20 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 2/20 0.56
PKM P14618 2/20 0.53
LMNA P02545 1/20 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
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
GPR84 Q9NQS5 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
SCHEMBL16314556 0.91 ALDH1A1 (0.49) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL13190987 0.90 ALDH1A1 (0.76) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL6859214 0.90 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL320360 0.89 ALDH1A1 (0.55) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL9558692 0.89 ALDH1A1 (0.55) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL20217120 0.87 ALDH1A1 (0.70) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL11852793 0.86 ALDH1A1 (0.53) ALDH1A1TP53TSHRMAPTHPGD
Ether SCHEMBL11032952 0.85 ALDH1A1 (0.58) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL7120531 0.84 ALDH1A1 (0.62) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL10836633 0.84 ALDH1A1 (0.62) ALDH1A1TP53TSHRMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO disclosed
US-4088764-A CARDIOVASCULAR DISORDERS, BETA-ADRENERGIC BLOCKING AGENTS, ANTIARRHYTHMIC AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4066768-A ADRENERGIC BLOCKING AGENTS, ANTIARRHYTHMIC CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1978-01-03 US 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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 ALDH1A1 3375/4885TP53 4791/4885TSHR 517/4885

“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.