SCHEMBL4900253

SCHEMBL4900253

COC1OC(OC)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
PAX8 Q06710 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ADRA2A P08913 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CA4 P22748 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
EPHX1 P07099 1/20 0.31
TMEM97 Q5BJF2 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
SCHEMBL30861792 1.00 HSP90AA1 (0.37) HSP90AA1PAX8MAOAMAOBADRA2A
SCHEMBL10262549 0.86 HSP90AA1 (0.33) HSP90AA1PAX8MAOAMAOBADRA2A
SCHEMBL29309181 0.82 ALDH1A1 (0.41) ADRA2ASIGMAR1HTR2CHTR2BTSHR
SCHEMBL21701193 0.81 GPR3 (0.36) HSP90AA1PAX8TMEM97GPR3
SCHEMBL7400483 0.78 LGALS8 (0.36) HSP90AA1PAX8TSHR
SCHEMBL7400440 0.74 ATM (0.43) HSP90AA1PAX8TSHR
SCHEMBL8408677 0.74 HSP90AA1 (0.30) HSP90AA1PAX8
SCHEMBL5151902 0.73 THRB (0.36) MAOAMAOBADRA2AHTR2CHTR2A
SCHEMBL10616744 0.72 TOP2A (0.33) ADRA2ASIGMAR1HTR2CHTR2AHTR2B
SCHEMBL7021519 0.72 MAPT (0.32) MAOACA2HTR2CHTR2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022040635-A1 NANOPARTICLES CONTAINING MULTIPLE CLEAVABLE PRODUGS FOR CANCER THERAPY THE UNIVERSITY OF CHICAGO (US) 2022-02-24 WO disclosed
US-9968683-B2 Method for conjugating molecules ORGANOLINX CORP. (CA) 2018-05-15 US disclosed
US-9968683-B2 Method for conjugating molecules ORGANOLINX CORP. (CA) 2018-05-15 US disclosed
US-20160206748-A1 METHOD FOR CONJUGATING MOLECULES ORGANOLINX CORP. (CA) 2016-07-21 US disclosed
EP-1738646-B1 Forming germicidal aromatic dialdehydes with acetals ETHICON INC (US) 2013-03-20 EP disclosed
US-20080110763-A1 Method For Producing Alkoxylated 2,5-Dihydrofuran But-2-Ene Derivatives Or Tetra-1,1,4,4-Alkoxylated But-2-Ene Derivatives BASF AKTIENGESELLSCHAFT (DE) 2008-05-15 US disclosed
US-7291649-B2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-11-06 US disclosed
US-7291649-B2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-11-06 US disclosed
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. 2007-01-04 US disclosed
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. 2007-01-04 US disclosed
EP-1738646-A2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-01-03 EP 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 (3 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-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ALPG, DDT, ACR HSP90AA1 382/4885PAX8 1590/4885MAOA 225/4885
US-20080110763-A1 Method For Producing Alkoxylated 2,5-Dihydrofuran But-2-Ene Derivatives Or Tetra-1,1,4,4-Alkoxylated But-2-Ene Derivatives CYP2E1, ADH1C, ADH1A HSP90AA1 3767/4885PAX8 4786/4885MAOA 1291/4885
US-20160206748-A1 METHOD FOR CONJUGATING MOLECULES AADAC, DDT, ALDH3A1 HSP90AA1 2125/4885PAX8 2239/4885MAOA 39/4885

“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.