SCHEMBL5773589

SCHEMBL5773589

c1ccc(C(c2ccccc2)c2ccc(Oc3ccc(C(c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.55
TSHR P16473 1/20 0.55
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
MAOA P21397 1/20 0.48
SRD5A2 P31213 1/20 0.47
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTGS1 P23219 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 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
SCHEMBL13326419 0.97 LTA4H (0.60) LTA4HTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL25864476 0.97 LTA4H (0.60) LTA4HTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL22566798 0.89 HTT (0.52) LTA4HTSHRSLC6A4SRD5A2
SCHEMBL9767941 0.89 MAOA (0.68) LTA4HTSHRMAOA
SCHEMBL31409222 0.84 MAOA (0.75) LTA4HTSHRMAOA
SCHEMBL2956444 0.83 SLC6A2 (0.63) TSHRSLC6A2SLC6A4SLC6A3CFTR
SCHEMBL14205685 0.80 SLC2A1 (0.61) LTA4HTSHRCA1CA2
SCHEMBL13295537 0.80 SLC2A1 (0.61) LTA4HTSHRCA1CA2
SCHEMBL9085170 0.80 SLC6A3 (0.44) TSHRSLC6A2SLC6A4SLC6A3CFTR
SCHEMBL13295540 0.80 SLC2A1 (0.61) LTA4HTSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324989-B1 5-TRITYLOXYMETHYL-2-OXAZOLIDINONE AND PROCESS FOR THE PREPARATION THEREOF UNIV MICHIGAN STATE (US) 2006-06-14 EP claimed
EP-1324989-A4 5-TRITYLOXYMETHYL-OXAZOLIDINONES AND PROCESS FOR THE PREPARATION THEREOF UNIV MICHIGAN STATE (US) 2005-07-20 EP claimed
EP-1324989-A1 5-TRITYLOXYMETHYL-OXAZOLIDINONES AND PROCESS FOR THE PREPARATION THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-07-09 EP claimed
WO-2002024670-A1 5-TRITYLOXYMETHYL-OXAZOLIDINONES AND PROCESS FOR THE PREPARATION THEREOF MICHIGAN STATE UNIVERSITY (US) 2002-03-28 WO claimed
US-6288239-B1 STIRRING A TRITYL ETHER OF 3,4-DIHYDROXYBUTYRAMIDE WITH ALKALINE OR ALKALI HYDROXIDE TO PRODUCE 5-TRITYLOXYMETHYL OXAZOLINE AND REMOVAL OF OXAZOLIDINONE DERIVATIVE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2001-09-11 US claimed
US-20120172606-A1 SULFONIUM COMPOUND, PHOTO-ACID GENERATOR, AND METHOD FOR MANUFACTURING THE SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-07-05 US disclosed
US-7737248-B2 Charge-transporting compound, charge-transporting material, charge-transporting varnish, charge-transporting thin film, and organic electroluminescent device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-15 US disclosed
US-7358660-B2 Organic electroluminescence device and material thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-15 US disclosed
US-20070031699-A1 Charge-transporting compound, charge-transporting material, charge-transporting varnish, charge-transporting thin film, and organic electroluminescent device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-08 US disclosed
US-20070031699-A1 Charge-transporting compound, charge-transporting material, charge-transporting varnish, charge-transporting thin film, and organic electroluminescent device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-08 US disclosed
EP-1324989-B1 5-TRITYLOXYMETHYL-2-OXAZOLIDINONE AND PROCESS FOR THE PREPARATION THEREOF UNIV MICHIGAN STATE (US) 2006-06-14 EP disclosed
EP-1324989-A4 5-TRITYLOXYMETHYL-OXAZOLIDINONES AND PROCESS FOR THE PREPARATION THEREOF UNIV MICHIGAN STATE (US) 2005-07-20 EP disclosed
EP-1324989-A1 5-TRITYLOXYMETHYL-OXAZOLIDINONES AND PROCESS FOR THE PREPARATION THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-07-09 EP disclosed
WO-2002024670-A1 5-TRITYLOXYMETHYL-OXAZOLIDINONES AND PROCESS FOR THE PREPARATION THEREOF MICHIGAN STATE UNIVERSITY (US) 2002-03-28 WO disclosed
US-6288239-B1 STIRRING A TRITYL ETHER OF 3,4-DIHYDROXYBUTYRAMIDE WITH ALKALINE OR ALKALI HYDROXIDE TO PRODUCE 5-TRITYLOXYMETHYL OXAZOLINE AND REMOVAL OF OXAZOLIDINONE DERIVATIVE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2001-09-11 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-20120172606-A1 SULFONIUM COMPOUND, PHOTO-ACID GENERATOR, AND METHOD FOR MANUFACTURING THE SAME ARSA, SULT1A1, PPOX LTA4H 1448/4885TSHR 960/4885SLC6A2 4219/4885

“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.