SCHEMBL10201417

SCHEMBL10201417

COc1nccc(OCc2ccccc2)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK14 Q16539 2/20 0.44
LTA4H P09960 1/20 0.44
ABCB1 P08183 4/20 0.43
HTR1A P08908 3/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PRMT5 O14744 1/20 0.41
MAOB P27338 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
SCHEMBL16054767 0.83 AOC3 (0.46) MAPTMAPK1TDP1L3MBTL1MAPK14
SCHEMBL23723810 0.81 ACACB (0.46) APPMAPTMAPK1TDP1L3MBTL1
SCHEMBL30014456 0.81 ACACB (0.46) APPMAPTMAPK1TDP1L3MBTL1
SCHEMBL14514408 0.79 LTA4H (0.60) APPMAPTMAPK1TDP1L3MBTL1
SCHEMBL5942340 0.77 ALDH1A1 (0.39) MAPTMAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10263562 0.74 CYP2D6 (0.41) MAPTMAPK14LMNAKDM4EALDH1A1
SCHEMBL10200748 0.74 MAPK14 (0.43) APPMAPTMAPK1TDP1L3MBTL1
SCHEMBL2896277 0.74 MAPT (0.64) APPMAPTMAPK1TDP1L3MBTL1
SCHEMBL7720531 0.73 LTA4H (0.49) MAPTMAPK1TDP1L3MBTL1MAPK14
SCHEMBL4688192 0.73 L3MBTL1 (0.50) MAPTMAPK1TDP1L3MBTL1MAPK14

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 236/4885MAPT 971/4885MAPK1 878/4885

“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.