SCHEMBL67612

SCHEMBL67612

O=C1CCOc2ccc(I)cc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.50
MAOA P21397 1/20 0.50
GRM5 P41594 7/20 0.43
AR P10275 1/20 0.41
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MET P08581 1/20 0.36
FABP6 P51161 1/20 0.36
HTR1A P08908 2/20 0.36
SLC6A4 P31645 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4728838 0.87 MAOB (0.66) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL3045957 0.81 HSD17B10 (0.44) MAOBMAOAARNPC1ALDH1A1
SCHEMBL30594673 0.81 HSD17B10 (0.44) MAOBMAOAARNPC1ALDH1A1
SCHEMBL69670 0.78 MAOB (0.50) MAOBMAOAGRM5ARNPSR1
SCHEMBL2981516 0.78 MAOB (0.74) MAOBMAOAGRM5ARNPC1
SCHEMBL16789730 0.78 MAOB (0.50) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL29982629 0.78 MAOB (0.54) MAOBMAOAGRM5ARHTR1A
SCHEMBL4476431 0.78 MAOB (0.50) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL30451384 0.78 MAOB (0.50) MAOBMAOAGRM5ARNPSR1
SCHEMBL67609 0.78 MAOB (0.54) MAOBMAOAGRM5ARHTR1A

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 US disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 WO disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
EP-2682272-B1 INK JET RECORDING METHOD AND PRINTED MATERIAL FUJIFILM CORP (JP) 2015-08-26 EP disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8168263-B2 Photo-curable composition, ink composition, and inkjet recording method using the ink composition FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-8168263-B2 Photo-curable composition, ink composition, and inkjet recording method using the ink composition FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-8147921-B2 Ink set for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
EP-1751091-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES Elan Pharmaceuticals, Inc. (US) 2007-02-14 EP disclosed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. 2005-12-01 US disclosed
CN-1694870-A Acetyl 2-hydroxy-1, 3-diaminoalkanes PHARMACIA & UPJOHN CO LLC (US) 2005-11-09 CN disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005095326-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES ELAN PHARMACEUTICALS, INC. (US) 2005-10-13 WO disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 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 (5 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-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP MAOB 407/4885MAOA 223/4885GRM5 1012/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 MAOB 1516/4885MAOA 2100/4885GRM5 4798/4885
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes BACE1, APP, BACE2 MAOB 744/4885MAOA 832/4885GRM5 283/4885
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 MAOB 1691/4885MAOA 2803/4885GRM5 4412/4885
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP MAOB 399/4885MAOA 247/4885GRM5 414/4885

“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.