SCHEMBL3659892

SCHEMBL3659892

O=CC1(O)Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.37
CYP1A2 P05177 1/20 0.33
MME P08473 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MMP8 P22894 1/20 0.32
AHR P35869 1/20 0.31
PDK2 Q15119 1/20 0.31
NOTUM Q6P988 1/20 0.31
CXCR5 P32302 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL3718368 0.77 TSHR (0.39) HDAC9NOTUMTSHR
SCHEMBL32683479 0.76 ADRA1D (0.35) HDAC9CA1CA2TSHR
SCHEMBL6023073 0.76 ADRA1D (0.35) HDAC9CA1CA2TSHR
SCHEMBL11844628 0.71 ALDH1A1 (0.35) HDAC9CYP1A2L3MBTL1LMNAHTT
SCHEMBL20975606 0.71 NOTUM (0.34) HDAC9CYP1A2L3MBTL1LMNAHTT
SCHEMBL8162156 0.71 HDAC9 (0.39) HDAC9CYP1A2MMECA1CA2
SCHEMBL2090676 0.68 MEN1 (0.34) HDAC9CYP1A2L3MBTL1LMNAHTT
SCHEMBL12083387 0.67 L3MBTL1 (0.49) L3MBTL1LMNAHTTNPSR1ALDH1A1
SCHEMBL25786898 0.67 MME (0.41) HDAC9MMEL3MBTL1LMNAHTT
SCHEMBL4644536 0.67 HTR2A (0.37) HDAC9L3MBTL1

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
EP-2209547-B1 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS UNIV KANSAS (US) 2018-06-20 EP disclosed
CN-101909729-B Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2014-10-22 CN disclosed
US-8801939-B2 Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2014-08-12 US disclosed
US-20130240781-A1 Ozonolysis Reactions in Liquid CO2 and CO2-Expanded Solvents ARCHER DANIELS MIDLAND COMPANY (US) 2013-09-19 US disclosed
US-8425784-B2 Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2013-04-23 US disclosed
EP-2209547-A2 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS University Of Kansas (US) 2010-07-28 EP disclosed
WO-2009061806-A2 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS UNIVERSITY OF KANSAS (US) 2009-05-14 WO disclosed
US-20090118498-A1 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS ARCHER DANIELS MIDLAND COMPANY 2009-05-07 US disclosed
CN-1867548-A Preparation of 3-azabicyclo [3.1.0] hexane derivatives PFIZER (US) 2006-11-22 CN disclosed
US-7129263-B2 Preparation of 3-azabicyclo [3.1.0] hexane derivatives PFIZER INC. 2006-10-31 US disclosed
EP-1675829-A1 PREPARATION OF 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES Pfizer Products Inc. (US) 2006-07-05 EP disclosed
US-20050113437-A1 Preparation of 3-azabicyclo [3.1.0] hexane derivatives PFIZER INC. 2005-05-26 US disclosed
WO-2005037790-A1 PREPARATION OF 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-04-28 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-20050113437-A1 Preparation of 3-azabicyclo [3.1.0] hexane derivatives ADH1C, ADH1A, ADH5 HDAC9 368/4885CYP1A2 74/4885MME 4422/4885

“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.