SCHEMBL6340374

SCHEMBL6340374

NC(=O)CCCC(O)C(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD3 P35462 2/20 0.42
LMNA P02545 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
EDNRB P24530 1/20 0.42
MAPK1 P28482 1/20 0.42
MC4R P32245 1/20 0.42
CYP2C19 P33261 1/20 0.42
MC3R P41968 1/20 0.42
DRD2 P14416 1/20 0.42
BCAT2 O15382 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 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
SCHEMBL8021780 0.83 BCAT2 (0.55) SLC6A3CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL4219820 0.81 HRH1 (0.57) SLC6A3CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL28585378 0.79 ALDH1A1 (0.47) SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6
SCHEMBL5330378 0.76 CYP2C19 (0.49) SLC6A3CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL26614642 0.76 ALOX5 (0.49) SLC6A3CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL3132139 0.76 ALDH1A1 (0.46) SLC6A3SLC6A2SLC6A4LMNAMAPK1
SCHEMBL1061595 0.76 EPHX1 (0.58) SLC6A3CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL14387185 0.76 ALOX5 (0.49) SLC6A3CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL9843972 0.76 TBXAS1 (0.55) SLC6A3CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL5462636 0.76 BCAT2 (0.55) SLC6A3CYP1A2CYP2D6PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 US disclosed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD SLC6A3 1559/4885SLC6A2 1615/4885SLC6A4 1666/4885

“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.