SCHEMBL31709800

SCHEMBL31709800

O=C(CCCCC(=O)OC(=O)OCc1ccccc1)OC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 3/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.46
HCAR2 Q8TDS4 1/20 0.46
EPHX2 P34913 1/20 0.43

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
SCHEMBL27622821 0.93 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL7440960 0.92 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL9359181 0.91 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL25670038 0.88 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL28039282 0.88 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL25998487 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL13418706 0.86 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL18673 0.85 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL27543987 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL8432122 0.85 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325567-A1 COADMINISTRATION OF POLYCANNABINOID WITH AMINE/AMIDE ANESTHETICS TO ENHANCE EFFICACY AGAINST PAIN UNIV CONNECTICUT (US) 2025-10-23 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-20250325567-A1 COADMINISTRATION OF POLYCANNABINOID WITH AMINE/AMIDE ANESTHETICS TO ENHANCE EFFICACY AGAINST PAIN CNR2, CNR1, OPRL1 ALDH1A1 2831/4885MAPK1 4744/4885L3MBTL1 4184/4885

“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.