SCHEMBL17876377

SCHEMBL17876377

CC(=O)C#Cc1coc2cc(C)c(C)c(C(C)(C)C)c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL17876367 0.86 ALDH1A1 (0.43) KMT2AALDH1A1POLBTDP1
SCHEMBL17876389 0.82 ALDH1A1 (0.38) KMT2AALDH1A1POLBTDP1
SCHEMBL17876366 0.75 ALOX15 (0.43) KMT2AALDH1A1POLBTDP1NPC1
SCHEMBL26035484 0.74 KMT2A (0.32) KMT2AALDH1A1POLBTDP1MEN1
SCHEMBL17876385 0.73 KMT2A (0.33) KMT2AALDH1A1POLBTDP1MEN1
SCHEMBL17876391 0.68 MAPT (0.46) KMT2AALDH1A1POLBTDP1MEN1
SCHEMBL17876379 0.63 MEN1 (0.34) KMT2AALDH1A1MEN1NPC1
SCHEMBL26035377 0.59 ALOX15 (0.34) KMT2AALDH1A1POLBTDP1MEN1
SCHEMBL16803424 0.59 NR1H3 (0.33)
SCHEMBL26035381 0.58 ALOX15 (0.33) KMT2AALDH1A1POLBTDP1MEN1

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 KMT2A 2453/4885ALDH1A1 2380/4885POLB 1216/4885

“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.