SCHEMBL1810993

SCHEMBL1810993

O=C(O)c1cc2ccc(S(=O)(=O)O)cc2cc1O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
HSD17B10 Q99714 3/20 0.65
KDM4E B2RXH2 1/20 0.65
HPGD P15428 1/20 0.65
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SNCA P37840 2/20 0.47
NT5E P21589 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP6 P55212 1/20 0.42
MCL1 Q07820 1/20 0.42
CYP2D6 P10635 1/20 0.42
ACMSD Q8TDX5 1/20 0.41

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
SCHEMBL367574 1.00 ALDH1A1 (0.65) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL1802613 0.87 LMNA (0.53) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL1806418 0.87 LMNA (0.53) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL1809990 0.85 NT5E (0.47) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL1802747 0.85 NT5E (0.47) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL30996782 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL29419322 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHPGDSNCA
SCHEMBL209713 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHPGDSNCA
SCHEMBL224178 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHPGDSNCA
SCHEMBL25216756 0.83 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4EHPGDMEN1

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 4 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
US-20020055602-A1 Aromatic polyisocyanates blocked by pyrazole or pyrazole derivatives and the preparation and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2002-05-09 US disclosed
EP-1184400-A1 Aromatic polyisocyanates blocked with pyrazole or pyrazole derivatives, process for their preparation and their use BAYER AG (DE) 2002-03-06 EP 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 ALDH1A1 218/4885HSD17B10 2848/4885KDM4E 1406/4885

“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.