SCHEMBL258451

SCHEMBL258451

COc1cccc(-c2ccccc2I)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
APP P05067 2/20 0.42
ALDH1A1 P00352 6/20 0.40
CTSG P08311 1/20 0.39
KLK7 P49862 1/20 0.39
KLK14 Q9P0G3 1/20 0.39
KLK5 Q9Y337 1/20 0.39
TOP1 P11387 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL16590519 0.89 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL1367446 0.85 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL18076289 0.81 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL4136425 0.81 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL16589085 0.80 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL1768310 0.80 TOP1 (0.47) CA1CA2CA7CA9CA12
SCHEMBL253099 0.78 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL28200388 0.77 APP (0.49) CA1CA2CA7CA9CA12
SCHEMBL29463736 0.75
SCHEMBL11709707 0.75 ALDH1A1 (0.33) ALDH1A1TP53TSHRMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067440-B2 Phosphonium salts derivatives and uses thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-11-29 US disclosed
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-04-21 US disclosed
US-7880037-B2 Phosphonium supported triphenylphosphine; for controlling solubility of a molecule; oxidation of Cinnamyl Alcohol using above catalyst system VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-02-01 US disclosed
EP-1756128-A4 PHOSPHONIUM SALTS DERIVATIVES AND THEIR USE AS SOLUBILITY CONTROLLING AUXILIARIES VALORISATION RECH SOC EN COMMA (CA) 2008-06-25 EP disclosed
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES VALORISATION-RECHERECHE (CA) 2007-08-23 US disclosed
EP-1756128-A1 PHOSPHONIUM SALTS DERIVATIVES AND THEIR USE AS SOLUBILITY CONTROLLING AUXILIARIES Valorisation-Recherche, Société en Commandite (CA) 2007-02-28 EP disclosed
WO-2005097812-A1 PHOSPHONIUM SALTS DERIVATIVES AND THEIR USE AS SOLUBILITY CONTROLLING AUXILIARIES Valorisation-Recherche, Société en Commandite (CA) 2005-10-20 WO 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 (2 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-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES PI4K2A, PIP4K2A, PI4K2B CA1 589/4885CA2 219/4885CA7 287/4885
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF PI4K2A, PIP4K2A, PI4K2B CA1 568/4885CA2 218/4885CA7 187/4885

“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.