SCHEMBL17868290

SCHEMBL17868290

COCOc1ccc2c(=O)c(C#CC(C)=O)coc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 7/20 0.47
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
GAA P10253 1/20 0.43
ALDH2 P05091 5/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
XDH P47989 1/20 0.40

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
SCHEMBL16445612 0.84 MAPT (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17868261 0.84 HDAC6 (0.33) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17876391 0.78 MAPT (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8788341 0.75 MEN1 (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2912377 0.73 ALDH2 (0.66) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17876366 0.72 ALOX15 (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8787466 0.69 MAOB (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11875767 0.69 MAPT (0.64) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8787469 0.68 MAPT (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16447848 0.68 MAPT (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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 MAPT 1736/4885ALDH1A1 2380/4885NPC1 3570/4885

“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.