SCHEMBL2779485

SCHEMBL2779485

CCCCCCCCCCCCCCC(C(=O)OCCCCCCCCCC)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
ZDHHC7 Q9NXF8 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MAPT P10636 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL3679543 0.96 NAAA (0.46) NAAAEPHX1TSHRZDHHC7CA1
SCHEMBL494249 0.91 DGKA (0.59) NAAAMAPTALDH1A1LMNA
SCHEMBL495632 0.91 DGKA (0.59) NAAAMAPTALDH1A1LMNA
SCHEMBL495964 0.91 DGKA (0.59) NAAAMAPTALDH1A1LMNA
SCHEMBL494193 0.91 DGKA (0.59) NAAAMAPTALDH1A1LMNA
SCHEMBL494312 0.91 DGKA (0.59) NAAAMAPTALDH1A1LMNA
SCHEMBL495623 0.91 DGKA (0.59) NAAAMAPTALDH1A1LMNA
SCHEMBL494351 0.91 DGKA (0.59) NAAAMAPTALDH1A1LMNA
SCHEMBL494246 0.91 DGKA (0.59) NAAAMAPTALDH1A1LMNA
SCHEMBL495610 0.91 DGKA (0.59) NAAAMAPTALDH1A1LMNA

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-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
WO-2008034032-A2 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS AZEVAN PHARMACEUTICALS, INC. (US) 2008-03-20 WO 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-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, FAAH2 NAAA 44/4885EPHX1 1200/4885TSHR 1587/4885

“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.