SCHEMBL12414751

SCHEMBL12414751

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Cc1cc2oc(=O)cc(C)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.44
▸ CNR2 P34972 4/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GLA P06280 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2184064 0.83 ALDH1A1 (0.49) CNR1CNR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2184062 0.83 ALDH1A1 (0.49) CNR1CNR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8527989 0.78 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL13575109 0.71 ALDH1A1 (0.67) CNR1CNR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29059536 0.71 ALDH1A1 (0.67) CNR1CNR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30171350 0.71 ALDH1A1 (0.67) CNR1CNR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6263407 0.69 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL1095445 0.68 ALDH1A1 (0.73) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL233650 0.68 ALDH1A1 (0.73) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL13171966 0.68 ALDH1A1 (0.73) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD

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-9271962-B2 Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2016-03-01 — — US disclosed
US-9271962-B2 Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2016-03-01 — — US disclosed
US-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-07-07 — — US disclosed
US-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 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 (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-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors FAAH, FAAH2, MGLL CNR1 6/4885CNR2 5/4885ALDH1A1 1388/4885

“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.

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