SCHEMBL17868261

SCHEMBL17868261

COCOc1cc2occ(C#CC(C)=O)c(=O)c2cc1OCOC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.33
PTPN1 P18031 1/20 0.33
PPARG P37231 1/20 0.33
ACHE P22303 4/20 0.33
RAB9A P51151 4/20 0.33
KLK7 P49862 1/20 0.33
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NPC1 O15118 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
GAA P10253 1/20 0.30
ALPG P10696 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
SCHEMBL17868290 0.84 MAPT (0.47) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL16445547 0.83 HDAC6 (0.33) HDAC6PTPN1PPARGACHERAB9A
SCHEMBL17876366 0.77 ALOX15 (0.43) PTPN1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL16445598 0.74 RAB9A (0.37) HDAC6PTPN1PPARGACHERAB9A
SCHEMBL17876391 0.72 MAPT (0.46) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL16445612 0.68 MAPT (0.44) HDAC6RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL16447874 0.66 PTPN1 (0.35) HDAC6PTPN1PPARGACHERAB9A
SCHEMBL17876367 0.64 ALDH1A1 (0.43) ALDH1A1KMT2AADORA2ATDP1HPGD
SCHEMBL13978684 0.63 MAOB (0.53) HDAC6PTPN1PPARGACHERAB9A
SCHEMBL17876377 0.60 KMT2A (0.39) NPC1ALDH1A1MEN1KMT2ATDP1

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-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
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 HDAC6 1376/4885PTPN1 4828/4885PPARG 657/4885

“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.