SCHEMBL7635313

SCHEMBL7635313

CCOC(=O)C(=O)CCCCOc1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.54
HDAC3 O15379 6/20 0.52
HDAC4 P56524 6/20 0.52
HDAC1 Q13547 6/20 0.52
HDAC7 Q8WUI4 6/20 0.52
HDAC2 Q92769 6/20 0.52
HDAC10 Q969S8 6/20 0.52
HDAC11 Q96DB2 6/20 0.52
HDAC8 Q9BY41 6/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC9 Q9UKV0 6/20 0.52
HDAC5 Q9UQL6 6/20 0.52
MAPT P10636 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
FAAH O00519 2/20 0.45

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
SCHEMBL12826614 0.92 FAAH (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7635967 0.88 HDAC1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1171581 0.86 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12745951 0.86 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7637034 0.86 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7643124 0.86 HDAC3 (0.69) MEN1KMT2AL3MBTL1HDAC3HDAC4
SCHEMBL7432444 0.85 MEN1 (0.55) MEN1KMT2AL3MBTL1HPGDHTT
SCHEMBL7372123 0.84 HDAC1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7642755 0.84 HDAC3 (0.50) MEN1KMT2AL3MBTL1HDAC3HDAC4
SCHEMBL7640264 0.84 MAPT (0.67) MEN1KMT2AL3MBTL1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 US disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP 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 (2 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 MEN1 4192/4885KMT2A 1984/4885L3MBTL1 2499/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 MEN1 4638/4885KMT2A 2153/4885L3MBTL1 4154/4885

“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.