SCHEMBL3787791

SCHEMBL3787791

OCCN[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
APP P05067 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3584130 0.84
SCHEMBL28097038 0.72
SCHEMBL7473806 0.72 GAA (0.39) CYP2D6
SCHEMBL1823573 0.69
SCHEMBL15823371 0.68 SMN1; SMN2 (0.38) SLC29A1KDM4EALDH1A1HTTBCHE
SCHEMBL10882095 0.67 CYP2D6 (0.62) KDM4EAPOBEC3AAPOBEC3GALDH1A1CYP2D6
SCHEMBL5259182 0.65
SCHEMBL5258503 0.65
Cyclohexanone SCHEMBL8465819 0.65 ALDH1A1 (0.55) POLBKDM4EALDH1A1HTTMAPK1
SCHEMBL3371595 0.65 SMN1; SMN2 (0.39) SLC29A1KDM4EALDH1A1HTTBCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT SLC29A1 2539/4885POLB 1033/4885KDM4E 2982/4885

“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.