SCHEMBL5834409

SCHEMBL5834409

COc1ccc(-c2ccc3oc(-c4ccc(OC)c(N)c4)nc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
PTGS2 P35354 3/20 0.53
HPSE Q9Y251 2/20 0.53
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
HDAC6 Q9UBN7 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 3/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
HSD17B10 Q99714 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 3/20 0.49
GLA P06280 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
USP2 O75604 1/20 0.48

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
SCHEMBL6681881 0.92 ALOX5 (0.59) ALOX5PTGS2NPC1RAB9AALDH1A1
SCHEMBL5834595 0.90 ALOX5 (0.67) ALOX5PTGS2HPSENPC1RAB9A
SCHEMBL5834493 0.90 NPC1 (0.59) ALOX5PTGS2HPSENPC1RAB9A
SCHEMBL5834515 0.90 ALOX5 (0.70) ALOX5PTGS2NPC1RAB9AALDH1A1
SCHEMBL5834333 0.89 NPC1 (0.65) ALOX5PTGS2HPSENPC1RAB9A
SCHEMBL5834837 0.89 ALOX5 (0.55) ALOX5PTGS2HPSENPC1RAB9A
SCHEMBL5834359 0.89 ALOX5 (0.55) ALOX5PTGS2HPSENPC1RAB9A
SCHEMBL5834290 0.89 HPSE (0.57) ALOX5PTGS2HPSENPC1RAB9A
Ethane SCHEMBL5835083 0.88 PTGS2 (0.54) ALOX5PTGS2HPSENPC1RAB9A
SCHEMBL5834921 0.87 NPC1 (0.60) ALOX5PTGS2HPSENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138425-B2 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2006-11-21 US disclosed
US-20050203153-A1 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2005-09-15 US disclosed
EP-1483261-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-12-08 EP disclosed
WO-2003074516-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-09-12 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-20050203153-A1 Phthalimide carboxylic acid derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, IDH1 ALOX5 1038/4885PTGS2 1244/4885HPSE 2626/4885

“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.