SCHEMBL1809167

SCHEMBL1809167

O=S(=O)(O)c1cc(Cl)ccc1CCCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ACLY P53396 1/20 0.35
TBXA2R P21731 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCL1 Q07820 2/20 0.35
GAA P10253 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.34
CDK1 P06493 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 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
SCHEMBL1805115 0.95 CA2 (0.42) CA2ALDH1A1L3MBTL1TBXA2RLMNA
SCHEMBL1807248 0.88 ALDH1A1 (0.39) ALDH1A1L3MBTL1LMNAMCL1GAA
SCHEMBL1809165 0.87 ALDH1A1 (0.36) ALDH1A1L3MBTL1ACLYLMNAMCL1
SCHEMBL1807607 0.86 CA2 (0.47) CA2PTGES2
SCHEMBL1805112 0.85 ALDH1A1 (0.37) ALDH1A1L3MBTL1ACLYLMNAMCL1
SCHEMBL1803343 0.82 CA2 (0.45) CA2ALDH1A1LMNAMCL1GAA
SCHEMBL1807246 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1LMNAMCL1PTGES2
SCHEMBL1806035 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1807081 0.81 CA2 (0.51) CA2TBXA2RPTGES2CDK1
SCHEMBL1803078 0.80 TAAR1 (0.42) ALDH1A1L3MBTL1PTGES2TSHRIDO1

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 1279/4885ALDH1A1 218/4885L3MBTL1 2085/4885

“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.