SCHEMBL17876389

SCHEMBL17876389

Cc1cc2occ(C#CC(C)O)c(=O)c2c(C(C)(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17876377 0.82 KMT2A (0.39) ALDH1A1POLBKMT2ATDP1
SCHEMBL17876374 0.76 ALOX15 (0.39) ALDH1A1POLBKMT2ATDP1
SCHEMBL26035484 0.73 KMT2A (0.32) ALDH1A1POLBKMT2ATDP1
SCHEMBL17876385 0.72 KMT2A (0.33) ALDH1A1POLBKMT2ATDP1
SCHEMBL17876365 0.69 MAPT (0.42) ALDH1A1POLBKMT2ATDP1
SCHEMBL17876367 0.67 ALDH1A1 (0.43) ALDH1A1POLBKMT2ATDP1
SCHEMBL17876379 0.57 MEN1 (0.34) ALDH1A1KMT2A
SCHEMBL17876366 0.56 ALOX15 (0.43) ALDH1A1POLBKMT2ATDP1
SCHEMBL17876359 0.55 ALDH2 (0.39) ALDH1A1POLBKMT2ATDP1
SCHEMBL28610540 0.54 TSHR (0.45) ALDH1A1

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 2380/4885POLB 1216/4885KMT2A 2453/4885

“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.