SCHEMBL3471004

SCHEMBL3471004

O=COc1cc(O)cc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
LCK P06239 1/20 0.37
CISD1 Q9NZ45 2/20 0.37
BACE1 P56817 1/20 0.37
PTGS2 P35354 3/20 0.36
TTR P02766 1/20 0.36
CYP1A1 P04798 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP1B1 Q16678 1/20 0.36
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL524065 0.86 LCK (0.43) LCKCISD1BACE1PTGS2TTR
Methane SCHEMBL27792691 0.84 LCK (0.42) LCKCISD1BACE1PTGS2TTR
SCHEMBL29958196 0.78 CYP1A1 (0.58) ALDH5A1ABATBACE1PTGS2TTR
SCHEMBL378297 0.78 CYP1A1 (0.58) ALDH5A1ABATBACE1PTGS2TTR
SCHEMBL37131 0.78 LCK (0.58) ALDH5A1ABATLCKBACE1PTGS2
SCHEMBL9261197 0.78 LCK (0.58) ALDH5A1ABATLCKBACE1PTGS2
SCHEMBL4575600 0.78 ALDH5A1 (0.52) ALDH5A1ABATLCKBACE1PTGS2
SCHEMBL24445876 0.77 CA12 (0.48) LCKPTGS2RAB9AMAPT
SCHEMBL8804437 0.77 ALDH1A1 (0.48) BACE1PTGS2TTRCYP1A1ALOX5
Resorcinol SCHEMBL28044421 0.77 CYP3A4 (0.50) LCKTTRALDH1A1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323969-A1 Compounds Binding to P-Selectin ASTELLAS PHARMA EUROPE B.V. (NL) 2010-12-23 US disclosed
US-20090062186-A1 Compounds Binding To P-Selectin YAMANOUCHI ERUOPE B.V. (NL) 2009-03-05 US disclosed
EP-1527086-B1 COMPOUNDS BINDING TO P-SELECTIN ASTELLAS PHARMA EUROP B V (NL) 2008-01-09 EP disclosed
US-20060217294-A1 Compounds binding to p-selectin YAMANOUCHI EUROPE B.V. 2006-09-28 US disclosed
EP-1527086-A1 COMPOUNDS BINDING TO P-SELECTIN YAMANOUCHI EUROPE B.V. (NL) 2005-05-04 EP disclosed
WO-2004018502-A1 COMPOUNDS BINDING TO P-SELECTIN YAMANOUCHI EUROPE B.V. (NL) 2004-03-04 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-20090062186-A1 Compounds Binding To P-Selectin SELP, SELPLG, SELL ALDH5A1 3325/4885ABAT 4568/4885LCK 3554/4885
US-20100323969-A1 Compounds Binding to P-Selectin SELP, SELPLG, SELL ALDH5A1 3325/4885ABAT 4568/4885LCK 3554/4885
US-20060217294-A1 Compounds binding to p-selectin SELP, SELPLG, SELL ALDH5A1 3325/4885ABAT 4568/4885LCK 3554/4885

“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.