SCHEMBL4898090

SCHEMBL4898090

OCc1nccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
LIPE Q05469 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCB1 P08183 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41
LMNA P02545 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HPGD P15428 1/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40

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
SCHEMBL4684239 0.91 MGAM (0.44) LTA4HMAPK14LIPEL3MBTL1MAPT
SCHEMBL5583748 0.91 KDM4E (0.49) L3MBTL1LMNAMGAMGAASI
SCHEMBL4159575 0.90 ABCB1 (0.51) LTA4HABCB1HTR1AKMT2A
Hydrochloric Acid SCHEMBL10371618 0.89 KDM4E (0.51) L3MBTL1LMNAMGAMGAASI
SCHEMBL16740341 0.85 HTR1A (0.36) LIPEL3MBTL1PTK2BLMNAMGAM
SCHEMBL4360270 0.84 KMT2A (0.42) LTA4HMAPK14L3MBTL1MAPTMAPK1
SCHEMBL10247056 0.84 LMNA (0.47) LTA4HMAPK14L3MBTL1MAPTMAPK1
SCHEMBL9654512 0.84 LTA4H (0.45) LTA4HMAPK14LIPEL3MBTL1MAPT
SCHEMBL10678151 0.83 NPC1 (0.50) ABCB1HTR1AIDO1
SCHEMBL10917428 0.83 MAPT (0.57) LTA4HMAPK14LIPEL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200520-A1 Iron Modulators BTG INTERNATIONAL LIMITED 2008-08-21 US disclosed
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P, ANGELETTI S.P.A. (IT) 2007-07-05 US disclosed
WO-2006103463-A1 IRON MODULATORS BTG INTERNATIONAL LIMITED (GB) 2006-10-05 WO disclosed
WO-1992013841-A1 COMPLEXING AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-20 WO disclosed
EP-0498380-A1 Complexing agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-12 EP disclosed
US-5112968-A Monobactam hydrazide derivatives E. R. SQUIBB & SONS, INC. (US) 1992-05-12 US disclosed
EP-0336369-A1 3-Acylamino-1-[[[(substituted sulfonyl)amino]carbonyl]amino]2-azetidinones E.R. Squibb & Sons, Inc. (US) 1989-10-11 EP 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 (2 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-20080200520-A1 Iron Modulators SLC40A1, HAMP, FTH1 LTA4H 1144/4885MAPK14 3550/4885LIPE 2990/4885
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors DUT, NQO2, TYMP LTA4H 2759/4885MAPK14 3101/4885LIPE 4731/4885

“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.