SCHEMBL17876358

SCHEMBL17876358

CC(=O)Cc1oc2cc(C)c(C)c(C)c2c(=O)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
NUAK1 O60285 2/20 0.33
IGF1R P08069 2/20 0.33
PIM1 P11309 2/20 0.33
SRC P12931 2/20 0.33
KDR P35968 2/20 0.33
PLK1 P53350 2/20 0.33
PKN1 Q16512 2/20 0.33
AURKB Q96GD4 2/20 0.33
ALK Q9UM73 2/20 0.33
MET P08581 1/20 0.33
AXL P30530 1/20 0.33
NEK2 P51955 1/20 0.33
PTK2 Q05397 1/20 0.33
NEK6 Q9HC98 1/20 0.33

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
SCHEMBL17876379 0.86 MEN1 (0.34) ALDH1A1HPGDHSD17B10KDM4EMAPK1
SCHEMBL8310257 0.69 ALOX15 (0.44) HPGDKDM4EADORA3ALDH2SMN1; SMN2
SCHEMBL11315028 0.66 KMT2A (0.43) HPGDKDM4EADORA3MEN1NPC1
SCHEMBL29800692 0.65 PIM1 (0.73) ALDH1A1HPGDHSD17B10KDM4EADORA3
SCHEMBL17525029 0.63 ALDH2 (0.59) ALDH1A1HPGDHSD17B10KDM4EMAPK1
SCHEMBL11851931 0.60 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10KDM4EMAPK1
SCHEMBL16477275 0.60 MAOA (0.61) ALDH1A1HPGDHSD17B10KDM4ECASP1
SCHEMBL29769730 0.59 KDM4E (0.48) ALDH1A1HPGDHSD17B10KDM4ENUAK1
SCHEMBL28726401 0.59 KDM4E (0.48) ALDH1A1HPGDHSD17B10KDM4ENUAK1
SCHEMBL28726451 0.59 KDM4E (0.48) ALDH1A1HPGDHSD17B10KDM4ENUAK1

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-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 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-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF VAT1, NQO1, VARS1 ALDH1A1 2380/4885HPGD 51/4885HSD17B10 137/4885

“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.