SCHEMBL17876379

SCHEMBL17876379

CC(=O)Cc1oc2cc(C)c(C)c(C(C)(C)C)c2c(=O)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17876358 0.86 ALDH1A1 (0.36) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL17876377 0.63 KMT2A (0.39) MEN1KMT2ANPC1ALDH1A1
SCHEMBL26035484 0.63 KMT2A (0.32) MEN1KMT2ANPC1ALDH1A1
SCHEMBL17876385 0.62 KMT2A (0.33) MEN1KMT2ANPC1ALDH1A1
SCHEMBL8310257 0.59 ALOX15 (0.44) MEN1KMT2ANPC1KDM4EHPGD
SCHEMBL17876389 0.57 ALDH1A1 (0.38) KMT2AALDH1A1
SCHEMBL28774082 0.57 ALPG (0.48) MEN1KMT2AKDM4EMAPK1
SCHEMBL29769730 0.56 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL28726401 0.56 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL28726451 0.56 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1HPGD

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 MEN1 1749/4885KMT2A 2453/4885NPC1 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.