SCHEMBL13615974

SCHEMBL13615974

CCCCN(CC)C(=O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA9 Q16790 3/20 0.55
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
CA2 P00918 1/20 0.45
HPGD P15428 3/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALDH2 P05091 1/20 0.39
MLYCD O95822 2/20 0.39
MGLL Q99685 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL22307792 0.94 CA1 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL16881608 0.92 MGLL (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL16881606 0.92 MGLL (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL16881607 0.92 MGLL (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL6032973 0.91 CA1 (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL21325283 0.87 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL13332903 0.86 CA12 (0.44) CA12CA1CA9MMP1MMP2
SCHEMBL4155821 0.84 CA1 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL3483209 0.83 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL20758088 0.83 CA12 (0.45) CA12CA1CA9MMP1MMP2

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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR CA12 3503/4885CA1 1561/4885CA9 2251/4885

“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.