SCHEMBL4182602

SCHEMBL4182602

O=c1c(-c2ccc(Nc3cccc(Cl)c3)cc2)coc2cc(O)ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.71
KDM4E B2RXH2 7/20 0.63
ALDH1A1 P00352 5/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
HSD17B10 Q99714 5/20 0.63
MAOB P27338 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HPGD P15428 4/20 0.63
MAPT P10636 4/20 0.63
MAOA P21397 4/20 0.63
ALDH2 P05091 4/20 0.63
TP53 P04637 3/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
CA12 O43570 1/20 0.63
AKR1B10 O60218 1/20 0.63

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
SCHEMBL4173475 0.88 KDM4E (0.78) EGFRKDM4EALDH1A1NPC1RAB9A
SCHEMBL12289059 0.82 KDM4E (0.83) EGFRKDM4EALDH1A1NPC1RAB9A
SCHEMBL4175335 0.80 KDM4E (0.86) KDM4EALDH1A1NPC1RAB9AHSD17B10
Daidzein SCHEMBL19814 0.79 KDM4E (1.00) EGFRKDM4EALDH1A1NPC1RAB9A
Daidzein SCHEMBL21114371 0.79 KDM4E (1.00) EGFRKDM4EALDH1A1NPC1RAB9A
Daidzein SCHEMBL29374778 0.79 KDM4E (1.00) EGFRKDM4EALDH1A1NPC1RAB9A
SCHEMBL4182239 0.78 KDM4E (0.65) EGFRKDM4EALDH1A1NPC1RAB9A
7-Hydroxy Isoflavone SCHEMBL762528 0.76 KDM4E (1.00) EGFRKDM4EALDH1A1NPC1RAB9A
SCHEMBL4191780 0.76 KDM4E (0.72) EGFRKDM4EALDH1A1NPC1RAB9A
Daidzein SCHEMBL2025991 0.76 KDM4E (0.86) EGFRKDM4EALDH1A1NPC1RAB9A

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 6 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-7468445-B2 Antigiardial agents and use thereof UNIVERSITY OF MISSISSIPPI (US) 2008-12-23 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 EGFR 3585/4885KDM4E 2433/4885ALDH1A1 2026/4885
US-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof ENPP2, GPER1, ALPI EGFR 3687/4885KDM4E 2954/4885ALDH1A1 2472/4885

“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.