SCHEMBL4666926

SCHEMBL4666926

COC(=O)c1ccc(C)c(NC(=O)C=Cc2ccc(OC)c(OC)c2OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.55
CHRNA7 P36544 1/20 0.52
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2C9 P11712 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
XBP1 P17861 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL4666922 1.00 ABCG2 (0.55) ABCG2CHRNA7ALDH1A1KDM4ECYP1A2
SCHEMBL13352116 0.82 MMP1 (0.56) ABCG2CHRNA7ALDH1A1KDM4ECYP1A2
SCHEMBL4667389 0.80 KDM4E (0.50) ALDH1A1KDM4EMAPTCYP2C9MEN1
SCHEMBL4667390 0.80 KDM4E (0.50) ALDH1A1KDM4EMAPTCYP2C9MEN1
SCHEMBL4255798 0.78 ABCG2 (0.61) ABCG2CHRNA7ALDH1A1KDM4ECYP1A2
SCHEMBL8169342 0.76 ALDH1A1 (0.49) ABCG2CHRNA7ALDH1A1KDM4ECYP1A2
SCHEMBL12585042 0.75 HTT (0.67) ABCG2CHRNA7ALDH1A1KDM4ECYP1A2
SCHEMBL14319169 0.74 TRPA1 (0.55) ABCG2ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL8232320 0.74 KDM4E (0.54) ABCG2CHRNA7ALDH1A1KDM4ENPC1
SCHEMBL13320675 0.74 TRPA1 (0.74) ABCG2ALDH1A1KDM4ECYP1A2NPC1

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-8367677-B2 Comprising trihydroxy phenyl subunits; selectin inhibitors; side effect reduction; 3-{3-[3-(3,4,5-Trihydroxy-phenyl)-propionylamino]-phenylamino}-benzoic acid REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-02-05 US disclosed
EP-1732882-B1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS REVOTAR BIOPHARMACEUTICALS AG (DE) 2012-07-04 EP disclosed
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-10-09 US disclosed
EP-1732882-A1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Revotar Biopharmaceuticals AG (DE) 2006-12-20 EP disclosed
WO-2005090284-A1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS REVOTAR BIOPHARMACEUTICALS AG (DE) 2005-09-29 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-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders SELP, SELPLG, SELE ABCG2 319/4885CHRNA7 3745/4885ALDH1A1 2010/4885

“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.