SCHEMBL8222811

SCHEMBL8222811

CCOC(=O)C1=C(C)NC(C)=C(C2OC(C)O2)C1c1ccccc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 9/20 0.48
CYP2C9 P11712 5/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C19 P33261 4/20 0.47
GAA P10253 3/20 0.47
CYP1A2 P05177 3/20 0.47
ADORA3 P0DMS8 3/20 0.47
MAPT P10636 2/20 0.47
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
HSD17B10 Q99714 3/20 0.46
CASP1 P29466 1/20 0.46
MTOR P42345 2/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 2/20 0.45

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
SCHEMBL8222269 0.92 GAA (0.47) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL8225874 0.88 CACNA1F (0.51) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL8214725 0.87 KDM4E (0.55) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL8222271 0.87 KDM4E (0.48) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL8224290 0.85 KDM4E (0.46) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL8215677 0.85 KDM4E (0.46) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL8222248 0.85 GAA (0.43) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL3027183 0.85 ADORA3 (0.59) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL8222275 0.84 ADORA3 (0.64) ALDH1A1KDM4ECYP2C9CYP3A4CYP2C19
SCHEMBL8222923 0.83 CACNA1C (0.58) ALDH1A1KMT2AKDM4ECYP2C9CYP3A4

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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 ALDH1A1 3749/4885MEN1 3907/4885KMT2A 4587/4885

“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.