SCHEMBL17876365

SCHEMBL17876365

Cc1ccc2c(=O)c(C#CC(C)O)coc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT1 P42224 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL17876374 0.83 ALOX15 (0.39) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL17876391 0.80 MAPT (0.46) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL16445612 0.79 MAPT (0.44) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL28600756 0.72 MAPT (0.45) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL7600910 0.71 MAPT (0.50) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL17876389 0.69 ALDH1A1 (0.38) KMT2AALDH1A1POLBTDP1
SCHEMBL17876375 0.68 MAPT (0.47) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL11508309 0.68 MAOB (0.61) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL16357244 0.67 ALDH1A1 (0.68) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL13555491 0.66 KMT2A (0.56) MAPTSMN1; SMN2ALOX15KMT2AMEN1

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 MAPT 1736/4885SMN1; SMN2 3336/4885ALOX15 503/4885

“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.