SCHEMBL1805115

SCHEMBL1805115

O=S(=O)(O)c1cc(Cl)ccc1CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
TBXA2R P21731 1/20 0.39
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCL1 Q07820 3/20 0.36
GAA P10253 1/20 0.35
EPAS1 Q99814 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
IDO1 P14902 1/20 0.35
CDK1 P06493 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
TLR8 Q9NR97 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL1809167 0.95 CA2 (0.38) CA2TBXA2RALDH1A1L3MBTL1MCL1
SCHEMBL1807248 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1MCL1GAAHPGD
SCHEMBL1805112 0.87 ALDH1A1 (0.37) ALDH1A1L3MBTL1MCL1GAAHPGD
SCHEMBL1807081 0.85 CA2 (0.51) CA2TBXA2RCDK1
SCHEMBL1809165 0.85 ALDH1A1 (0.36) ALDH1A1L3MBTL1MCL1HPGDTSHR
SCHEMBL1807246 0.83 ALDH1A1 (0.39) ALDH1A1L3MBTL1MCL1HPGDTSHR
SCHEMBL1806035 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1803078 0.81 TAAR1 (0.42) ALDH1A1L3MBTL1TSHRIDO1
SCHEMBL1803077 0.81 ALDH1A1 (0.38) ALDH1A1L3MBTL1MCL1HPGDTSHR
SCHEMBL1805570 0.81 CA2 (0.50) CA2TBXA2RALDH1A1MCL1GAA

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 1279/4885TBXA2R 4408/4885ALDH1A1 218/4885

“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.