SCHEMBL17876374

SCHEMBL17876374

Cc1cc2occ(C#CC(C)O)c(=O)c2cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
PTPN1 P18031 2/20 0.37
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNA2 P16389 1/20 0.32
KCNA1 Q09470 1/20 0.32
NQO1 P15559 1/20 0.31
MAOB P27338 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL17876365 0.83 MAPT (0.42) ALOX15ALDH1A1KDM4EKMT2APOLB
SCHEMBL17876389 0.76 ALDH1A1 (0.38) ALDH1A1KMT2APOLBTDP1
SCHEMBL13978666 0.75 ALDH1A1 (0.58) ALOX15PTPN1ALDH1A1KDM4EKMT2A
SCHEMBL16445612 0.74 MAPT (0.44) ALDH1A1KDM4EKMT2APOLBHPGD
SCHEMBL18021729 0.70 ALOX15 (0.49) ALOX15PTPN1ALDH1A1KDM4EKMT2A
SCHEMBL17876373 0.66 PTPN1 (0.45) ALOX15PTPN1ALDH1A1KDM4EKMT2A
SCHEMBL11562450 0.66 PTPN1 (0.45) ALOX15PTPN1ALDH1A1KDM4EKMT2A
SCHEMBL11510460 0.66 MAOB (0.56) ALOX15PTPN1ALDH1A1USP2MAOB
SCHEMBL31619652 0.65 PTPN1 (0.58) ALOX15PTPN1ALDH1A1KDM4EKMT2A
SCHEMBL31292056 0.64 PTPN1 (0.77) ALOX15PTPN1ALDH1A1KDM4EKMT2A

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 ALOX15 503/4885PTPN1 4828/4885ALDH1A1 2380/4885

“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.