SCHEMBL3135747

SCHEMBL3135747

c1ccc(C2COC23CO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
KDM1A O60341 16/20 0.42
MAOA P21397 15/20 0.42
MAOB P27338 15/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR1 P25103 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
SCHEMBL5321239 0.67 NFKB1 (0.37) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL9055452 0.64 TACR1 (0.38) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL10020901 0.64 TACR1 (0.40) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL20377916 0.64 TSHR (0.71) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL11216596 0.63 KDM1A (0.48) KDM1AMAOAMAOB
SCHEMBL10409193 0.63 NFKB1 (0.43) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL6883069 0.62 MEN1 (0.43) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL6873760 0.62 MEN1 (0.43) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL28580157 0.62 KDM1A (0.43) KDM1AMAOAMAOBMEN1CYP2C19
SCHEMBL6873757 0.62 MEN1 (0.43) TSHRKDM1AMAOAMAOBMEN1

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 12 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-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-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
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 TSHR 4430/4885KDM1A 3502/4885MAOA 982/4885
US-20050215568-A1 Substituted oxetanes, method of making, and method of use thereof PNP, TYMP, DHPS TSHR 4430/4885KDM1A 3502/4885MAOA 982/4885

“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.