SCHEMBL5583988

SCHEMBL5583988

O=[N+]([O-])c1ccccc1COCCl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
TSHR P16473 1/20 0.65
HTT P42858 1/20 0.58
HPGD P15428 1/20 0.54
MAOB P27338 1/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CA2 P00918 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
SCHEMBL38655942 1.00 ALDH1A1 (0.65) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL77922 0.89 ALDH1A1 (0.62) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL5583985 0.88 ALDH1A1 (0.62) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL8539484 0.85 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL431687 0.84 ALDH1A1 (0.56) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL7027259 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3937015 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL12086376 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL2354939 0.82 ALDH1A1 (0.59) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3937020 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122005489-A FACOD@DSPE nano particle, preparation method and application thereof in antibiosis/sterilization 广西中医药大学第一附属医院(广西中医医院) 2026-05-12 CN disclosed
US-9201067-B2 Size-controlled macromolecule POSCO (KR) 2015-12-01 US disclosed
EP-1664341-B1 SIZE-CONTROLLED MACROMOLECULE POSCO (KR) 2013-01-30 EP disclosed
EP-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP disclosed
EP-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP disclosed
EP-1664341-A2 SIZE-CONTROLLED MACROMOLECULE Posco (KR) 2006-06-07 EP disclosed
US-20050147984-A1 Interaction detection on several probe arrays CLONDIAG CHIP TECHNOLOGIES GMBH (DE) 2005-07-07 US disclosed
WO-2005026191-A2 SIZE-CONTROLLED MACROMOLECULE POSCO (KR) 2005-03-24 WO disclosed
US-20050037413-A1 functionalized substrates bound to layers of dendrimers and to target-specific ligands, used in combinatorial chemistry, protein, nucleic acid or nucleic acid/peptide hybridization detection; medical diagnosis POSCO (KR) 2005-02-17 US disclosed
EP-1425417-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS Clondiag Chip Technologies GmbH (DE) 2004-06-09 EP disclosed
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation ABBOTT LABORATORIES 2003-03-20 US disclosed
WO-2003018838-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECHNOLOGIES GMBH (DE) 2003-03-06 WO disclosed
WO-1994010128-A1 NOVEL PHOTOREACTIVE PROTECTING GROUPS AFFYMAX TECHNOLOGIES N.V. (AN) 1994-05-11 WO disclosed
US-4590211-A USING HYDROXYUREA PRODURG FOR SKIN DISORDERS THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
US-4302457-A ACTIVATION OF PRO-DRUGS BY ULTRAVIOLET RADIATION IN TREATMENT OF SKIN DISORDERS THE UPJOHN COMPANY (US) 1981-11-24 US disclosed
US-4302456-A UV RADIATION ACTIVATION OF PRO-DRUG, FOR SKIN DISEASE THE UPJOHN COMPANY (US) 1981-11-24 US disclosed
US-4235887-A ADMINISTERING PRO-DRUG STEROID FOR SKIN DISORDERS THE UPJOHN COMPANY (US) 1980-11-25 US disclosed
US-4086254-A ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1978-04-25 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-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation NEU4, NEU2, NEU1 ALDH1A1 410/4885TSHR 762/4885HTT 3577/4885

“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.