SCHEMBL5144556

SCHEMBL5144556

COc1ccc(-c2c(O)ccc(C=O)c2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.56
TRIM24 O15164 1/20 0.56
TYR P14679 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
ALDH1A1 P00352 3/20 0.45
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
ACLY P53396 1/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
CYP2A6 P11509 1/20 0.43
ESR2 Q92731 1/20 0.43
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41

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
SCHEMBL13078747 0.79 ERN1 (0.60) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL16096807 0.78 ERN1 (0.48) ERN1TRIM24TRIM33HDAC4HDAC2
SCHEMBL29399003 0.77 ERN1 (0.74) ERN1TRIM24TYRTRIM33HDAC4
SCHEMBL19798735 0.77 ERN1 (0.74) ERN1TRIM24TYRTRIM33HDAC4
SCHEMBL1005010 0.72 CA1 (0.61) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL133876 0.72 TYR (1.00) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL29459651 0.72 CA1 (0.61) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL120412 0.72 ERN1 (1.00) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL29559365 0.72 ERN1 (1.00) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL28803580 0.71 ALDH1A1 (0.53) ERN1TRIM24TYRTRIM33ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450812-A4 USE OF BENZOPYRANONES FOR TREATING OR PREVENTING A PRIMARY BRAIN CANCER OR A BRAIN METASTASIS SIGNAL PHARM INC (US) 2007-03-28 EP disclosed
US-7148252-B2 Use of benzopyranones for treating or preventing a primary brain cancer or a brain metastasis SIGNAL PHARMACEUTICALS, LLC (US) 2006-12-12 US disclosed
EP-1450812-A2 USE OF BENZOPYRANONES FOR TREATING OR PREVENTING A PRIMARY BRAIN CANCER OR A BRAIN METASTASIS Signal Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
US-20030149025-A1 Use of benzopyranones for treating or preventing a primary brain cancer or a brain metastasis SIGNAL PHARMACEUTICALS, INC. 2003-08-07 US disclosed
WO-2003028652-A2 USE OF BENZOPYRANONES FOR TREATING OR PREVENTING A PRIMARY BRAIN CANCER OR A BRAIN METASTASIS SIGNAL PHARMACEUTICALS, INC. (US) 2003-04-10 WO 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-20030149025-A1 Use of benzopyranones for treating or preventing a primary brain cancer or a brain metastasis RB1, FOXK1, SKP1 ERN1 3362/4885TRIM24 4294/4885TYR 1417/4885

“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.