SCHEMBL13895398

SCHEMBL13895398

C=C(C)OC(=O)NCC1CCC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.31
EPHX1 P07099 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
RIPK1 Q13546 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL8191481 0.81 TDP1 (0.40) TDP1ALDH1A1DRD2ALOX15KMT2A
SCHEMBL13604443 0.79 NPC1 (0.38) TDP1ALOX15HSD17B10
SCHEMBL12012157 0.79 ALOX15 (0.53) ALOX15EPHX1
SCHEMBL4419633 0.78 TDP1 (0.42) TDP1ALOX15EPHX1
SCHEMBL13895397 0.77 P2RX7 (0.38)
SCHEMBL585019 0.76 DRD2 (0.51) ALDH1A1DRD2KMT2AEPHX1ACACB
SCHEMBL12323351 0.74 ALOX15 (0.43) ALOX15EPHX1
SCHEMBL2696109 0.72 CYP2D6 (0.52) TDP1ALDH1A1KMT2AEPHX1MEN1
SCHEMBL12012147 0.71 F10 (0.51)
SCHEMBL9998181 0.70 KMT2A (0.42) TDP1ALDH1A1KMT2AEPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 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-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof BTF3, TYMS, F3 TDP1 3270/4885ALDH1A1 1603/4885DRD2 3079/4885

“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.