SCHEMBL1809231

SCHEMBL1809231

Cc1cc(CC[O])ccc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.34
HIF1A Q16665 2/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
ESR1 P03372 1/20 0.33
BRD4 O60885 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 2/20 0.33
MEP1B Q16820 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDIA6 Q15084 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
SKP2 Q13309 1/20 0.33
RAPGEF4 Q8WZA2 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
SCHEMBL1803306 0.86 POLB (0.52) ESR2POLBRECQLL3MBTL1HIF1A
SCHEMBL1809232 0.86 CA2 (0.42) ESR2POLBRECQLL3MBTL1HIF1A
SCHEMBL1802408 0.85 ESR2 (0.41) ESR2POLBRECQLL3MBTL1HIF1A
SCHEMBL1805243 0.82 PDIA6 (0.50) L3MBTL1LMNAALDH1A1PDIA6SKP2
SCHEMBL1607447 0.81 ESR2 (0.41) ESR2POLBRECQLL3MBTL1HIF1A
SCHEMBL1802409 0.81 ESR2 (0.41) ESR2POLBRECQLL3MBTL1HIF1A
SCHEMBL11960981 0.80 KAT8 (0.47) HIF1AESR1LMNAHSD17B10ALDH1A1
SCHEMBL11378075 0.80 POLB (0.36) ESR2POLBRECQLFFAR4PDIA6
SCHEMBL1804051 0.80 ESR2 (0.43) ESR2POLBRECQLL3MBTL1HIF1A
SCHEMBL1804054 0.80 ESR2 (0.40) ESR2POLBRECQLL3MBTL1HIF1A

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 ESR2 3059/4885POLB 3927/4885RECQL 529/4885

“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.