SCHEMBL3976678

SCHEMBL3976678

O=C(O)Cc1ccccc1OBOc1ccccc1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 4/20 0.57
AKR1B1 P15121 2/20 0.53
CHRM1 P11229 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
CAMK2A Q9UQM7 2/20 0.46
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
CFD P00746 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
F11 P03951 1/20 0.44
KLKB1 P03952 1/20 0.44
F7 P08709 1/20 0.44
TPSB2 P20231 1/20 0.44
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
BCAT2 O15382 1/20 0.42

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
SCHEMBL11097326 0.82 CXCL8 (0.79) CXCL8AKR1B1CHRM1L3MBTL1TDP1
SCHEMBL27354316 0.78 CXCL8 (0.59) CXCL8AKR1B1CHRM1L3MBTL1TDP1
SCHEMBL3289983 0.78 CXCL8 (0.59) CXCL8AKR1B1CHRM1L3MBTL1TDP1
SCHEMBL155982 0.78 HSD17B10 (0.61) CXCL8AKR1B1L3MBTL1MAPT
SCHEMBL29431297 0.78 HSD17B10 (0.61) CXCL8AKR1B1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL2527513 0.77 HSD17B10 (0.59) CXCL8AKR1B1L3MBTL1MAPT
SCHEMBL503961 0.77 L3MBTL1 (0.77) CXCL8AKR1B1CHRM1L3MBTL1TDP1
SCHEMBL3700349 0.77 CXCL8 (0.57) CXCL8AKR1B1CHRM1L3MBTL1TDP1
SCHEMBL28215186 0.77 HSD17B10 (0.59) CXCL8AKR1B1L3MBTL1MAPT
SCHEMBL838629 0.77 CAMK2A (0.68) CXCL8AKR1B1CHRM1L3MBTL1CAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 CXCL8 79/4885AKR1B1 589/4885CHRM1 4380/4885

“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.