SCHEMBL5115517

SCHEMBL5115517

O=S(=O)(O)c1ccc(CCCC2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
NMT1 P30419 12/20 0.42
MOGAT2 Q3SYC2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MLNR O43193 1/20 0.38

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
SCHEMBL963564 0.91 KCNH2 (0.44) KCNH2LMNAGAAALDH1A1NPSR1
SCHEMBL2484521 0.82 KCNH2 (0.40) KCNH2MOGAT2LMNAGAAALDH1A1
SCHEMBL22123904 0.81 LMNA (0.47) KCNH2LMNAGAANPSR1
SCHEMBL20573232 0.76 MAOB (0.40) LMNAALDH1A1
SCHEMBL7735405 0.76 DAO (0.41) LMNAALDH1A1
SCHEMBL23387596 0.76 L3MBTL1 (0.47) LMNAGAAALDH1A1NPSR1
SCHEMBL1714161 0.76 AOC2 (0.39) KCNH2LMNAALDH1A1NPSR1MLNR
SCHEMBL17797595 0.75 LMNA (0.38) KCNH2LMNAGAAALDH1A1
SCHEMBL12453115 0.75 DAO (0.43) LMNAALDH1A1NPSR1
SCHEMBL30446884 0.75 CA2 (0.57) LMNAALDH1A1

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-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KCNH2 2728/4885NMT1 2225/4885MOGAT2 2031/4885

“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.