SCHEMBL6899683

SCHEMBL6899683

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
TSHR P16473 3/20 0.39
FAAH O00519 3/20 0.39
ALDH1A1 P00352 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
PLA2G2C Q5R387 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10087940 0.86 ABCB1 (0.42) ABCB1ZDHHC7TSHRFAAHALDH1A1
SCHEMBL28340808 0.85 ABCB1 (0.44) ABCB1ZDHHC7TSHRFAAHALDH1A1
SCHEMBL12514261 0.84 LMNA (0.46) ABCB1ZDHHC7TSHRFAAHGPR84
SCHEMBL16177782 0.81 FAAH (0.41) ABCB1ZDHHC7TSHRFAAHGPR84
SCHEMBL8152281 0.81 FAAH (0.41) ABCB1ZDHHC7TSHRFAAHGPR84
SCHEMBL6503353 0.81 FAAH (0.41) ABCB1ZDHHC7TSHRFAAHGPR84
SCHEMBL4350901 0.81 ABCB1 (0.44) ABCB1ZDHHC7TSHRFAAHALDH1A1
SCHEMBL10576490 0.81 GPR84 (0.44) ABCB1ZDHHC7TSHRGPR84FFAR1
SCHEMBL28416992 0.81 FAAH (0.41) ABCB1ZDHHC7TSHRFAAHGPR84
SCHEMBL15689858 0.81 FAAH (0.41) ABCB1ZDHHC7TSHRFAAHGPR84

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-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS ALKERMES, INC. (US) 2011-11-10 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 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-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB ABCB1 758/4885ZDHHC7 1049/4885TSHR 1502/4885
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS COASY, DHPS, OXA1L ABCB1 830/4885ZDHHC7 1262/4885TSHR 4488/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ABCB1 231/4885ZDHHC7 2751/4885TSHR 3059/4885

“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.