SCHEMBL1806604

SCHEMBL1806604

Cc1ccc(CC[O])c(S(=O)(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
ELAVL1 Q15717 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 3/20 0.35
TSHR P16473 3/20 0.34
MPL P40238 1/20 0.34
SRC P12931 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1806606 0.86 TSHR (0.36) ALDH1A1GAAKMT2APOLBTDP1
SCHEMBL1805307 0.86 GAA (0.38) ALDH1A1GAAKMT2APOLBTDP1
SCHEMBL1805641 0.85 GAA (0.37) ALDH1A1GAAKMT2APOLBTDP1
SCHEMBL15031209 0.83 RAPGEF4 (0.41) ALDH1A1GAAKMT2APOLBTDP1
SCHEMBL2622514 0.83 DAO (0.40) ALDH1A1GAAKMT2APOLBTDP1
SCHEMBL1807380 0.82 KDM4E (0.46) ALDH1A1KMT2APOLBMEN1KDM4E
SCHEMBL1805645 0.81 PSEN1 (0.38) ALDH1A1GAAKMT2APOLBTDP1
SCHEMBL1805251 0.80 ALDH1A1 (0.40) ALDH1A1GAAKMT2APOLBTDP1
SCHEMBL1804660 0.80 ALDH1A1 (0.39) ALDH1A1POLBTDP1KDM4ECASP6
SCHEMBL1805246 0.80 ALDH1A1 (0.38) ALDH1A1GAAKMT2APOLBTDP1

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 ALDH1A1 218/4885GAA 2451/4885KMT2A 1224/4885

“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.