SCHEMBL6449146

SCHEMBL6449146

COc1ccc(C=C(NC(C)=O)C(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
GAA P10253 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 1/20 0.55
NFE2L2 Q16236 1/20 0.54
MCL1 Q07820 1/20 0.52
AKR1C3 P42330 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
STAT1 P42224 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL6449141 1.00 ALDH1A1 (0.60) ALDH1A1GAATDP1SMN1; SMN2KDM4E
SCHEMBL10466948 1.00 ALDH1A1 (0.60) ALDH1A1GAATDP1SMN1; SMN2KDM4E
SCHEMBL10747248 0.92 ALDH1A1 (0.72) ALDH1A1GAATDP1SMN1; SMN2KDM4E
SCHEMBL11289654 0.92 ALDH1A1 (0.65) ALDH1A1GAATDP1SMN1; SMN2KDM4E
SCHEMBL30958855 0.92 ALDH1A1 (0.72) ALDH1A1GAATDP1SMN1; SMN2KDM4E
SCHEMBL2457110 0.92 ALDH1A1 (0.72) ALDH1A1GAATDP1SMN1; SMN2KDM4E
SCHEMBL2457107 0.92 ALDH1A1 (0.72) ALDH1A1GAATDP1SMN1; SMN2KDM4E
SCHEMBL10741104 0.89 MAPT (0.61) ALDH1A1GAATDP1KDM4EHPGD
SCHEMBL11312156 0.89 MAPT (0.61) ALDH1A1GAATDP1KDM4EHPGD
SCHEMBL10741098 0.89 MAPT (0.61) ALDH1A1GAATDP1KDM4EHPGD

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
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
US-4912221-A Chiral 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and precursors and preparation thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1990-03-27 US 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 ALDH1A1 61/4885GAA 701/4885TDP1 2098/4885

“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.