SCHEMBL4182499

SCHEMBL4182499

O=c1c(-c2ccccc2)coc2cc(O)c(Br)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
SMN1; SMN2 Q16637 8/20 0.63
RAB9A P51151 8/20 0.63
NPC1 O15118 7/20 0.63
KDM4E B2RXH2 5/20 0.63
POLB P06746 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ALOX12 P18054 4/20 0.61
ALOX15 P16050 3/20 0.61
MAPT P10636 6/20 0.55
HPGD P15428 4/20 0.55
TP53 P04637 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HSD17B10 Q99714 4/20 0.55
CYP3A4 P08684 3/20 0.55
BLM P54132 2/20 0.55
USP2 O75604 1/20 0.55
BRCA1 P38398 1/20 0.55
HDAC6 Q9UBN7 3/20 0.52

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
SCHEMBL11082015 0.88 ALOX12 (0.77) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL4175173 0.83 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5275289 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5426172 0.80 HDAC6 (0.81) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
Isoflavone SCHEMBL3066716 0.79 ALOX12 (0.80) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL27839334 0.78 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL31135529 0.78 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL31135531 0.78 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL14994916 0.78 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
7-Hydroxy Isoflavone SCHEMBL762528 0.78 KDM4E (1.00) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E

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-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof UNIVERSITY OF MISSISSIPPI 2009-07-30 US disclosed
US-7468445-B2 Antigiardial agents and use thereof UNIVERSITY OF MISSISSIPPI (US) 2008-12-23 US disclosed
US-20060106091-A1 Antigiardial agents and use thereof THE UNIVERSITY OF MISSISSIPPI 2006-05-18 US disclosed
WO-2004014886-A1 ANTIGIARDIAL AGENTS AND USE THEREOF UNIVERSITY OF MISSISSIPPI (US) 2004-02-19 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 (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-20060106091-A1 Antigiardial agents and use thereof GPER1, ENPP2, ALPI ALDH1A1 2026/4885SMN1; SMN2 3704/4885RAB9A 1440/4885
US-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof ENPP2, GPER1, ALPI ALDH1A1 2472/4885SMN1; SMN2 4129/4885RAB9A 1314/4885

“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.