SCHEMBL19130730

SCHEMBL19130730

C=CCOC(=O)NCCCC[C@H](C)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 7/20 0.37
EPHX1 P07099 1/20 0.37
ERN1 O75460 2/20 0.36
FAAH O00519 1/20 0.36
ALOX15 P16050 1/20 0.35
TGM2 P21980 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8260665 0.88 FAAH (0.38) BRD4TDP1ACHEERN1FAAH
SCHEMBL20663472 0.88 FAAH (0.38) BRD4TDP1ACHEERN1FAAH
SCHEMBL19414915 0.87 TDP1 (0.36) BRD4TDP1ACHEERN1FAAH
SCHEMBL22878134 0.84 DDAH1 (0.39) BRD4ACHEEPHX1ERN1ALDH1A1
SCHEMBL16093518 0.84 MEN1 (0.42) BRD4TDP1ACHEERN1FAAH
SCHEMBL19130731 0.82 SIRT1 (0.41) ACHEEPHX1ALOX15TGM2
SCHEMBL13523926 0.81 MEN1 (0.50) TDP1MAPT
SCHEMBL14930702 0.81 KDM4E (0.44) TDP1TGM2ALDH1A1MAPT
SCHEMBL3676772 0.81 TGM2 (0.46) ACHEEPHX1ERN1TGM2
SCHEMBL12737518 0.79 ACHE (0.42) ACHETGM2ALDH1A1

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-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 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-20170204138-A1 ANTIBACTERIAL AGENTS VNN1, ASNS, AAAS BRD4 3232/4885TDP1 4651/4885ACHE 4111/4885

“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.