SCHEMBL1803306

SCHEMBL1803306

Cc1ccc(CC[O])cc1S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
RECQL P46063 2/20 0.52
ESR2 Q92731 2/20 0.52
HIF1A Q16665 2/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
BRD4 O60885 1/20 0.33
NSD2 O96028 1/20 0.33
ESR1 P03372 1/20 0.33
APEX1 P27695 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC16A3 O15427 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32

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
SCHEMBL6839421 0.86 POLB (0.52) POLBRECQLESR2HIF1ACDC25A
SCHEMBL1803308 0.86 POLB (0.52) POLBRECQLESR2HIF1ACDC25A
SCHEMBL1809231 0.86 ESR2 (0.39) POLBRECQLESR2HIF1ACDC25A
SCHEMBL1805731 0.85 POLB (0.55) POLBRECQLESR2HIF1ACDC25A
SCHEMBL13917723 0.83 ESR2 (0.69) POLBRECQLESR2HIF1ACDC25A
SCHEMBL4601026 0.83 POLB (0.50) POLBRECQLESR2HIF1ALMNA
SCHEMBL6841675 0.83 POLB (0.50) POLBRECQLESR2LMNASMN1; SMN2
SCHEMBL1803955 0.82 GLO1 (0.42) POLBRECQLESR2BRD4HTT
SCHEMBL1805735 0.81 POLB (0.55) POLBRECQLESR2HIF1ACDC25A
SCHEMBL1803016 0.81 POLB (0.55) POLBRECQLESR2HIF1ACDC25A

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 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 (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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 POLB 3927/4885RECQL 529/4885ESR2 3059/4885

“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.