SCHEMBL10201419

SCHEMBL10201419

COc1cc(OCc2ccccc2)c(I)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MAOB P27338 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
ABCB1 P08183 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL27558303 0.84 PDGFRB (0.54) PDGFRBPDGFRAMAOBMEN1KMT2A
SCHEMBL16047754 0.84 AOC3 (0.48) MAPTMAPK1TDP1L3MBTL1MEN1
SCHEMBL10200177 0.81 L3MBTL1 (0.50) APPMAPTMAPK1TDP1L3MBTL1
SCHEMBL23510835 0.81 RXRA (0.44) PDGFRBPDGFRAMAOBMAPTMAPK1
SCHEMBL10201422 0.78 FFAR1 (0.47) APPMAPTMAPK1TDP1L3MBTL1
Formic Acid Methyl Ester SCHEMBL27562281 0.77 PDGFRB (0.47) APPPDGFRBPDGFRAHTR1ASMN1; SMN2
Formic Acid SCHEMBL27502633 0.77 NPC1 (0.49) APPPDGFRBPDGFRAMEN1PABPC1
SCHEMBL23663360 0.76 ABCB1 (0.51) APPPDGFRBPDGFRAMAOBHTR1A
SCHEMBL20755877 0.76 FFAR1 (0.57) APPMAOBMAPTMAPK1TDP1
SCHEMBL27881407 0.76 TUBB4A (0.39) PDGFRBPDGFRAHTR1ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 APP 236/4885PDGFRB 1428/4885PDGFRA 1747/4885

“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.