SCHEMBL12565705

SCHEMBL12565705

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(CO)c2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 1.00
NFKB1 P19838 3/20 1.00
MMP2 P08253 2/20 1.00
MMP8 P22894 2/20 1.00
APP P05067 10/20 0.82
MAPT P10636 9/20 0.82
BACE1 P56817 5/20 0.82
CYP2D6 P10635 2/20 0.82
CYP2C9 P11712 2/20 0.82
TSHR P16473 2/20 0.82
HSD17B10 Q99714 2/20 0.82
ABCB1 P08183 2/20 0.82
AKR1B1 P15121 2/20 0.82
MAOA P21397 2/20 0.82
MAOB P27338 2/20 0.82
MMP13 P45452 2/20 0.82
HDAC3 O15379 2/20 0.82
HDAC1 Q13547 2/20 0.82
HDAC2 Q92769 2/20 0.82
HDAC6 Q9UBN7 2/20 0.82

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
SCHEMBL10077702 1.00 MMP9 (1.00) MMP9NFKB1MMP2MMP8APP
SCHEMBL13125782 1.00 MMP9 (1.00) MMP9NFKB1MMP2MMP8APP
SCHEMBL16203057 1.00 MMP9 (1.00) MMP9NFKB1MMP2MMP8APP
SCHEMBL6847537 0.91 MMP9 (0.84) MMP9NFKB1MMP2MMP8APP
SCHEMBL13453148 0.91 MMP9 (0.84) MMP9NFKB1MMP2MMP8APP
SCHEMBL26397843 0.91 MMP9 (0.84) MMP9NFKB1MMP2MMP8APP
SCHEMBL13324431 0.91 NFKB1 (0.83) MMP9NFKB1MMP2MMP8APP
Curcumin SCHEMBL8336603 0.90 APP (1.00) MMP9NFKB1MMP2MMP8APP
Curcumin SCHEMBL8440 0.90 APP (1.00) MMP9NFKB1MMP2MMP8APP
Curcumin SCHEMBL250984 0.90 APP (1.00) MMP9NFKB1MMP2MMP8APP

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
US-20160060287-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS SPRING BANK PHARMACEUTICALS, INC. 2016-03-03 US disclosed
US-20140323554-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS SPRING BANK PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-20120264709-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS SPRING BANK PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-20110146516-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-06-23 US disclosed
US-20110020757-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-01-27 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 (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-20120264709-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS TYMP, PNP, DUT MMP9 2682/4885NFKB1 599/4885MMP2 3209/4885
US-20160060287-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS TYMP, PNP, DUT MMP9 2682/4885NFKB1 599/4885MMP2 3209/4885
US-20140323554-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS TYMP, PNP, DUT MMP9 2682/4885NFKB1 599/4885MMP2 3209/4885

“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.