SCHEMBL3139580

SCHEMBL3139580

c1ccc(COCC2CC3(CO3)O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
HRH4 Q9H3N8 4/20 0.41
HRH3 Q9Y5N1 4/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
DRD1 P21728 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
NAAA Q02083 1/20 0.38
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL25631052 0.79 TAAR1 (0.47) LMNATSHRTAAR1HRH4HRH3
SCHEMBL582586 0.77 TSHR (0.44) LMNATSHRTAAR1HRH4HRH3
SCHEMBL717853 0.76 LMNA (0.45) LMNATSHRTAAR1HRH4HRH3
SCHEMBL306297 0.75 LMNA (0.57) LMNATSHRTAAR1HRH4HRH3
SCHEMBL153049 0.75 LMNA (0.57) LMNATSHRTAAR1HRH4HRH3
SCHEMBL715660 0.75 LMNA (0.57) LMNATSHRTAAR1HRH4HRH3
SCHEMBL5606199 0.75 TMEM97 (0.48) LMNATSHRTAAR1HRH4HRH3
SCHEMBL565818 0.75 TMEM97 (0.48) LMNATSHRTAAR1HRH4HRH3
SCHEMBL2182755 0.75 TMEM97 (0.48) LMNATSHRTAAR1HRH4HRH3
Ammonia Solution, Strong SCHEMBL28849284 0.74 LMNA (0.55) LMNATSHRTAAR1HRH4HRH3

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
US-7687500-B2 Substituted oxetanes, method of making, and method of use thereof THE UNIVERSITY OF CONNECTICUT (US) 2010-03-30 US disclosed
US-7687500-B2 Substituted oxetanes, method of making, and method of use thereof THE UNIVERSITY OF CONNECTICUT (US) 2010-03-30 US disclosed
US-20080139566-A1 SUBSTITUTED OXETANES, METHOD OF MAKING, AND METHOD OF USE THEREOF HOWELL AMY R 2008-06-12 US disclosed
US-20080139566-A1 SUBSTITUTED OXETANES, METHOD OF MAKING, AND METHOD OF USE THEREOF HOWELL AMY R 2008-06-12 US disclosed
US-7351827-B2 Substituted oxetanes, method of making, and method of use thereof THE UNIVERSITY OF CONNECTICUT (US) 2008-04-01 US disclosed
US-7351827-B2 Substituted oxetanes, method of making, and method of use thereof THE UNIVERSITY OF CONNECTICUT (US) 2008-04-01 US disclosed
EP-1685127-A1 HETEROCYCLYL-SUBSTITUTED OXETANES FOR THE TREATMENT OF PROLIFERATIVE OR INFECTIOUS DISEASES The University of Connecticut (US) 2006-08-02 EP disclosed
US-20050215568-A1 Substituted oxetanes, method of making, and method of use thereof UNIVERSITY OF CONNECTICUT, THE 2005-09-29 US disclosed
WO-2005051944-A1 HETEROCYCLYL-SUBSTITUTED OXETANES FOR THE TREATMENT OF PROLIFERATIVE OR INFECTIOUS DISEASES UNIVERSITY OF CONNECTICUT (US) 2005-06-09 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 (2 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-20080139566-A1 SUBSTITUTED OXETANES, METHOD OF MAKING, AND METHOD OF USE THEREOF PNP, TYMP, DHPS LMNA 2053/4885TSHR 4430/4885TAAR1 4255/4885
US-20050215568-A1 Substituted oxetanes, method of making, and method of use thereof PNP, TYMP, DHPS LMNA 2053/4885TSHR 4430/4885TAAR1 4255/4885

“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.