SCHEMBL501806

SCHEMBL501806

COc1ccc(C2(O)COc3cc(O)ccc3C2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
CYP3A4 P08684 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.41
ALOX15 P16050 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
PTPN1 P18031 1/20 0.38
LMNA P02545 2/20 0.37
ALOX12 P18054 2/20 0.37
MAOB P27338 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 2/20 0.34
TYR P14679 2/20 0.34

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
SCHEMBL28470256 0.85 NR1H4 (0.39) ALDH1A1HPGDCYP3A4MAPTMAPK1
SCHEMBL572273 0.76 NR1H4 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL17963718 0.76 NR1H4 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
(3R)-4'-Methoxy-2',3',7-Trihydroxyisoflavanone SCHEMBL30217561 0.75 PTPN1 (0.61) ALDH1A1HPGDCYP3A4MAPTMAPK1
(3R)-4'-Methoxy-2',3',7-Trihydroxyisoflavanone SCHEMBL572272 0.75 PTPN1 (0.61) ALDH1A1HPGDCYP3A4MAPTMAPK1
(3R)-4'-Methoxy-2',3',7-Trihydroxyisoflavanone SCHEMBL17963716 0.75 PTPN1 (0.61) ALDH1A1HPGDCYP3A4MAPTMAPK1
SCHEMBL6850499 0.75 ALOX15 (0.49) ALDH1A1HPGDCYP3A4MAPTMAPK1
SCHEMBL28316491 0.72 PTPN1 (0.48) ALDH1A1HPGDCYP3A4MAPTMAPK1
SCHEMBL31525286 0.71 HTR2B (0.43) ALDH1A1HPGDCYP3A4MAPTMAPK1
SCHEMBL966448 0.69 RIPK1 (0.50) ALDH1A1HPGDLMNAMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106146-B2 Therapeutic polymers and methods of generation MEDTRONIC, INC. (US) 2012-01-31 US claimed
US-20110082266-A1 THERAPEUTIC POLYMERS AND METHODS OF GENERATION MEDTRONIC, INC. 2011-04-07 US claimed
US-8106146-B2 Therapeutic polymers and methods of generation MEDTRONIC, INC. (US) 2012-01-31 US disclosed
US-20110082266-A1 THERAPEUTIC POLYMERS AND METHODS OF GENERATION MEDTRONIC, INC. 2011-04-07 US disclosed
US-7462478-B2 isolated from licorice; catalyzes a dehydration reaction of 2-hydroxy hisoflavanone NIHON UNIVERSITY (JP) 2008-12-09 US disclosed
US-20070050865-A1 Polynucleotide encoding 2-hydorxyisoflavanone dehydratase and application of the same NIHON UNIVERSITY (JP) 2007-03-01 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-20110082266-A1 THERAPEUTIC POLYMERS AND METHODS OF GENERATION OGFR, OAT, ALK ALDH1A1 843/4885HPGD 2027/4885CYP3A4 3180/4885

“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.