SCHEMBL18680409

SCHEMBL18680409

Cc1[nH]cc(C(C)N2CCOCC2)c(=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
AEBP2 Q6ZN18 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNA5 P22460 1/20 0.32
LMNA P02545 1/20 0.32
ACHE P22303 1/20 0.32
PIK3CB P42338 2/20 0.31
PRKCG P05129 1/20 0.30

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
SCHEMBL18680417 0.86 ALDH1A1 (0.36) ALDH1A1L3MBTL1EEDRBBP4SUZ12
SCHEMBL18680410 0.73 ALDH1A1 (0.33) ALDH1A1EEDRBBP4SUZ12EZH2
SCHEMBL12249889 0.66
SCHEMBL18680419 0.66 ACHE (0.35) ALDH1A1CYP3A4TSHRCYP2C19TP53
SCHEMBL5888474 0.65 LMNA (0.35) ALDH1A1L3MBTL1EEDRBBP4SUZ12
SCHEMBL12248160 0.65 KCNA5 (0.46) ALDH1A1CYP3A4TSHRCYP2C19KCNA5
Hydrochloric Acid SCHEMBL5888277 0.64 LMNA (0.34) ALDH1A1L3MBTL1EEDRBBP4SUZ12
SCHEMBL22711434 0.61 DPP4 (0.47) ALDH1A1CYP3A4TSHRCYP2C19KCNA5
SCHEMBL16852689 0.61 KCNA5 (0.42) ALDH1A1L3MBTL1CYP3A4TSHRCYP2C19
SCHEMBL28209343 0.61 EED (0.43) ALDH1A1L3MBTL1EEDRBBP4SUZ12

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-9938240-B2 Fluorinated derivatives of 3-hydroxypyridin-4-ones APOTEX INC. (CA) 2018-04-10 US disclosed
US-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones THE BANK OF NOVA SCOTIA (CA) 2017-03-30 US 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-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones FH, FECH, FPGS ALDH1A1 537/4885L3MBTL1 2228/4885EED 2683/4885

“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.