SCHEMBL147036

SCHEMBL147036

O=C(NCCCCCCO)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.59
DPP9 Q86TI2 1/20 0.59
TGM2 P21980 2/20 0.53
MGLL Q99685 2/20 0.53
RAB9A P51151 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
HTT P42858 3/20 0.47
CHRM2 P08172 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL6418689 0.95 DPP8 (0.58) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL11161416 0.89 DPP8 (0.55) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL11198623 0.88 DPP8 (0.58) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL7797858 0.88 DPP8 (0.58) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL10500161 0.87 DPP8 (0.58) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL15456527 0.87 HTT (0.61) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL10756101 0.87 DPP8 (0.59) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL11160001 0.86 HTT (0.63) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL11391394 0.85 DPP8 (0.57) DPP8DPP9TGM2MGLLRAB9A
SCHEMBL13647947 0.85 MGLL (0.67) DPP8DPP9TGM2MGLLRAB9A

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-9777320-B2 Molecular adaptors for dye conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-10-03 US disclosed
US-9777320-B2 Molecular adaptors for dye conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-10-03 US disclosed
US-20120058473-A1 Molecular Adaptors for Dye Conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058473-A1 Molecular Adaptors for Dye Conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 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-20120058473-A1 Molecular Adaptors for Dye Conjugates ALKBH1, ALKBH5, ALKBH3 DPP8 3659/4885DPP9 4210/4885TGM2 4501/4885

“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.