SCHEMBL6324610

SCHEMBL6324610

COCCOCCOc1ccc(C(O)CN(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
APP P05067 4/20 0.40
THRA P10827 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL6324606 0.89 AOC3 (0.46) AOC3MEN1KMT2AKDM4ERECQL
SCHEMBL6317820 0.81 AOC3 (0.49) AOC3MEN1KMT2ARECQLAPP
SCHEMBL6479388 0.77 AOC3 (0.74) AOC3
SCHEMBL3611926 0.77 KDM4E (0.61) KDM4ERECQLAPP
SCHEMBL12703538 0.77 KDM4E (0.61) KDM4ERECQLAPP
SCHEMBL11499413 0.76 TAAR1 (0.48) AOC3MEN1KMT2AKDM4ERECQL
SCHEMBL13981330 0.76 KDM4E (0.50) MEN1KMT2AKDM4ERECQLAPP
SCHEMBL18127062 0.76 KDM4E (0.50) MEN1KMT2AKDM4ERECQLAPP
SCHEMBL15275317 0.76 KDM4E (0.50) MEN1KMT2AKDM4ERECQLAPP
SCHEMBL18682251 0.76 MAPT (0.44) KDM4ERECQL

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-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US claimed

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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 AOC3 4410/4885MEN1 1462/4885KMT2A 2402/4885

“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.