SCHEMBL3698159

SCHEMBL3698159

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)N1CC(OC(=O)CCC(=O)O)CC1C(OCc1ccc(OC)cc1)(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PRCP P42785 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPOR P19235 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3693937 1.00 CNR1 (0.39) CNR1ALDH1A1PRCPMEN1KMT2A
SCHEMBL3698157 0.98 PRCP (0.40) CNR1ALDH1A1PRCPMEN1KMT2A
SCHEMBL3693935 0.98 PRCP (0.40) CNR1ALDH1A1PRCPMEN1KMT2A
SCHEMBL3692377 0.96 CNR1 (0.46) CNR1
SCHEMBL3692376 0.94 CNR1 (0.45) CNR1
SCHEMBL3424211 0.87 TBXAS1 (0.39) PRCP
SCHEMBL3426000 0.86 CHRM5 (0.35) ALDH1A1CYP2D6
SCHEMBL3424209 0.85 TBXAS1 (0.38) PRCP
SCHEMBL3425992 0.84 LTA4H (0.34) CYP2D6
SCHEMBL3426500 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2A

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-7851615-B2 Lipophilic conjugated iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-20080108801-A1 Lipophilic Conjugated iRNA Agents BANK OF AMERICA, N.A. 2008-05-08 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-20080108801-A1 Lipophilic Conjugated iRNA Agents NCL, PARP1, HNRNPA1 CNR1 2569/4885ALDH1A1 1108/4885PRCP 3064/4885

“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.