SCHEMBL6898457

SCHEMBL6898457

C=CC(CCCCCCCC)OC(=O)OC(C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
FAAH O00519 5/20 0.37
LMNA P02545 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL12120759 0.88 ABCB1 (0.43) ABCB1FAAHLMNACNR1CNR2
SCHEMBL12514261 0.88 LMNA (0.46) ABCB1FAAHLMNACNR1CNR2
SCHEMBL28340808 0.82 ABCB1 (0.44) ABCB1FAAHCNR1CNR2GPR84
SCHEMBL6899683 0.81 ABCB1 (0.41) ABCB1FAAHGPR84FFAR1ZDHHC7
SCHEMBL12438248 0.81 MEN1 (0.45) MAPT
SCHEMBL19359753 0.81 MEN1 (0.45) MAPT
SCHEMBL10087940 0.81 ABCB1 (0.42) ABCB1FAAHLMNACNR1CNR2
SCHEMBL4350901 0.79 ABCB1 (0.44) ABCB1FAAHLMNACNR1CNR2
SCHEMBL10576490 0.79 GPR84 (0.44) ABCB1ACE2GPR84FFAR1ZDHHC7
SCHEMBL6503353 0.79 FAAH (0.41) ABCB1FAAHGPR84FFAR1ZDHHC7

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
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 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 (3 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 ABCB1 191/4885FAAH 1017/4885LMNA 2321/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ABCB1 231/4885FAAH 164/4885LMNA 3322/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ABCB1 908/4885FAAH 565/4885LMNA 1349/4885

“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.