SCHEMBL1809232

SCHEMBL1809232

Cc1cc(CCO)ccc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP4F2 P78329 4/20 0.38

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
SCHEMBL1803308 0.86 POLB (0.52) CA2CA1CA12CA4CA6
SCHEMBL1809231 0.86 ESR2 (0.39) ALDH1A1POLBRECQLESR2LMNA
SCHEMBL1802409 0.85 ESR2 (0.41) CA2CA1CA12CA4CA6
SCHEMBL1805245 0.84 CA2 (0.53) CA2CA1CA12CA4CA6
SCHEMBL1802408 0.81 ESR2 (0.41) ALDH1A1POLBRECQLESR2LMNA
SCHEMBL1607447 0.81 ESR2 (0.41) CA2ALDH1A1ALOX5MAPTPOLB
SCHEMBL11960981 0.80 KAT8 (0.47) CA2KDM4EALDH1A1PPARALMNA
SCHEMBL11378075 0.80 POLB (0.36) CA2POLBRECQLESR2
SCHEMBL1804054 0.80 ESR2 (0.40) CA2CA1CA12CA4CA6
SCHEMBL1804051 0.80 ESR2 (0.43) ALDH1A1POLBRECQLESR2LMNA

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 CA2 1279/4885CA1 798/4885CA12 1243/4885

“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.