SCHEMBL1809165

SCHEMBL1809165

[O]CCCCc1ccc(Cl)cc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACLY P53396 4/20 0.35
MCL1 Q07820 3/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
NAAA Q02083 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
SCHEMBL1805112 0.95 ALDH1A1 (0.37) ALDH1A1L3MBTL1ACLYMCL1HPGD
SCHEMBL1807246 0.88 ALDH1A1 (0.39) ALDH1A1L3MBTL1MCL1HPGDTSHR
SCHEMBL1809167 0.87 CA2 (0.38) ALDH1A1L3MBTL1ACLYMCL1HPGD
SCHEMBL1805115 0.85 CA2 (0.42) ALDH1A1L3MBTL1MCL1HPGDTSHR
SCHEMBL1807605 0.84 PTGES2 (0.42) MCL1
SCHEMBL1803342 0.82 ALDH1A1 (0.36) ALDH1A1HPGDTSHRLMNACYP2C19
SCHEMBL1807248 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1MCL1HPGDTSHR
SCHEMBL1806033 0.81 ALDH1A1 (0.37) ALDH1A1L3MBTL1MCL1HPGDTSHR
SCHEMBL1803078 0.80 TAAR1 (0.42) ALDH1A1L3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL1803077 0.80 ALDH1A1 (0.38) ALDH1A1L3MBTL1MCL1HPGDTSHR

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 218/4885L3MBTL1 2085/4885ACLY 2836/4885

“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.