SCHEMBL12378899

SCHEMBL12378899

Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(O)c1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.81
ALDH1A1 P00352 6/20 0.81
MAPT P10636 6/20 0.81
KMT2A Q03164 6/20 0.81
CYP3A4 P08684 5/20 0.81
KDM4E B2RXH2 4/20 0.81
HPGD P15428 4/20 0.81
HSD17B10 Q99714 4/20 0.81
FTO Q9C0B1 4/20 0.81
ALOX15 P16050 3/20 0.81
RECQL P46063 2/20 0.81
GALK1 P51570 2/20 0.81
BLM P54132 2/20 0.81
HBB P68871 2/20 0.81
PIM1 P11309 1/20 0.81
PTPRS Q13332 1/20 0.81
MAOA P21397 5/20 0.66
AKR1B1 P15121 4/20 0.66
MAPK8 P45983 1/20 0.66
CYP1B1 Q16678 7/20 0.64

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
SCHEMBL27462842 0.94 MEN1 (0.76) MEN1ALDH1A1MAPTKMT2ACYP3A4
Tricetin SCHEMBL158384 0.90 MEN1 (1.00) MEN1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL20868306 0.86 FTO (0.76) MEN1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL29576775 0.84 MAOA (0.92) MEN1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL12378833 0.84 MAOA (0.92) MEN1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL32679657 0.84 MEN1 (0.82) MEN1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL13300950 0.83 CYP1B1 (0.77) MEN1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL11981018 0.83 CYP1B1 (0.77) MEN1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL28112536 0.81 MEN1 (0.64) MEN1ALDH1A1MAPTKMT2ACYP3A4
Tricetin SCHEMBL4822637 0.80 PTPRS (0.82) MEN1ALDH1A1MAPTKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020040831-A1 METHODS FOR TREATING CONGENITAL DISORDERS OF GLYCOSYLATION PERLARA PBC (US) 2020-02-27 WO disclosed
US-20170224654-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR COUNTERING CHEMOTHERAPY INDUCED CARDIOTOXICITY STEM CELL THERANOSTICS, INC. (US) 2017-08-10 US disclosed
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 US disclosed
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 US disclosed
EP-2163619-A1 ROSE CONTAINING FLAVONE AND MALVIDIN, AND METHOD FOR PRODUCTION THEREOF International Flower Developments Proprietary Limited (AU) 2010-03-17 EP disclosed
EP-2159283-A1 ROSE CONTAINING FLAVONE, AND METHOD FOR PRODUCTION THEREOF International Flower Developments Proprietary Limited (AU) 2010-03-03 EP disclosed
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. 2009-10-15 US disclosed
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. 2009-10-15 US disclosed
WO-2009018320-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2009-02-05 WO disclosed
WO-2009018350-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2009-02-05 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 (3 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-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 MEN1 535/4885ALDH1A1 3621/4885MAPT 2788/4885
US-20170224654-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR COUNTERING CHEMOTHERAPY INDUCED CARDIOTOXICITY RDX, TNNT2, CHLSN MEN1 1453/4885ALDH1A1 2561/4885MAPT 4042/4885
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 MEN1 535/4885ALDH1A1 3621/4885MAPT 2788/4885

“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.