SCHEMBL17429397

SCHEMBL17429397

C/C=C/C(=O)Cc1ccc(/C=C/C(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
IAPP P10997 3/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
MAOB P27338 1/20 0.41
GLO1 Q04760 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
GSK3B P49841 1/20 0.40
FDPS P14324 1/20 0.40
APP P05067 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MMP8 P22894 1/20 0.39
ESR1 P03372 1/20 0.39
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP26A1 O43174 1/20 0.37

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
SCHEMBL19263832 0.82 GLA (0.57) GLATDP1IAPPPTGS1PTGS2
SCHEMBL1359335 0.78 GLA (0.77) GLATDP1IAPPPTGS1PTGS2
SCHEMBL1359336 0.78 GLA (0.77) GLATDP1IAPPPTGS1PTGS2
SCHEMBL9353385 0.77 TDP1 (0.59) GLATDP1IAPPPTGS1PTGS2
SCHEMBL9353382 0.77 TDP1 (0.59) GLATDP1IAPPPTGS1PTGS2
SCHEMBL28791431 0.77 HDAC8 (0.59) GLATDP1IAPPPTGS1PTGS2
SCHEMBL1909363 0.77 HDAC8 (0.59) GLATDP1IAPPPTGS1PTGS2
SCHEMBL7992528 0.77 CTBP2 (0.46) TDP1RAB9AKMT2A
SCHEMBL1245524 0.74 CES1 (0.52) PTGS1AKR1B1HDAC6KMT2AHDAC8
SCHEMBL11810722 0.74 CES1 (0.52) PTGS1AKR1B1HDAC6KMT2AHDAC8

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-9718837-B2 Nitrogen-containing heterocyclic ring substituted dihydroartemisinin derivatives and use thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2017-08-01 US disclosed
US-9718837-B2 Nitrogen-containing heterocyclic ring substituted dihydroartemisinin derivatives and use thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2017-08-01 US disclosed
US-20160009729-A1 NITROGEN-CONTAINING HETEROCYCLIC RING SUBSTITUTED DIHYDROARTEMISININ DERIVATIVES AND USE THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-01-14 US disclosed
US-20160009729-A1 NITROGEN-CONTAINING HETEROCYCLIC RING SUBSTITUTED DIHYDROARTEMISININ DERIVATIVES AND USE THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-01-14 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-20160009729-A1 NITROGEN-CONTAINING HETEROCYCLIC RING SUBSTITUTED DIHYDROARTEMISININ DERIVATIVES AND USE THEREOF DHODH, NQO2, DPYD GLA 3803/4885TDP1 4694/4885IAPP 4623/4885

“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.