SCHEMBL2902113

SCHEMBL2902113

O=C1c2cc(S(=O)(=O)CCCCO)c(S(=O)(=O)CCCCO)cc2C(=O)c2c1c(O)c1ccccc1c2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.40
PGAM1 P18669 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
PKLR P30613 5/20 0.38
PTPN1 P18031 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TTR P02766 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HSPD1 P10809 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2906203 0.99 TDP1 (0.40) CA2PGAM1TDP1PKLRPTPN1
SCHEMBL13568736 0.99 CA2 (0.39) CA2PGAM1TDP1PKLRPTPN1
SCHEMBL2906201 0.90 PGAM1 (0.41) CA2PGAM1TDP1PKLRPTPN1
SCHEMBL2906943 0.86 KDM4E (0.43) PGAM1KDM4EALDH1A1MAPT
SCHEMBL2904057 0.86 KDM4E (0.43) PGAM1KDM4EALDH1A1MAPT
SCHEMBL2908408 0.80 CA2 (0.39) CA2PGAM1PKLRKDM4EALDH1A1
SCHEMBL2903786 0.76 THRB (0.40) PGAM1
SCHEMBL2903559 0.75 CA2 (0.39) CA2TDP1KDM4EMEN1ALDH1A1
SCHEMBL13568743 0.74 PGAM1 (0.45) PGAM1TDP1PKLRPTPN1KDM4E
SCHEMBL2906255 0.74 TDP1 (0.40) CA2TDP1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9039946-B2 Reversibly thermochromic compositions BASF SE (DE) 2015-05-26 US disclosed
EP-1888705-B1 Reversibly thermochromic compositions BASF SE (DE) 2010-08-18 EP disclosed
US-20090302284-A1 Reversibly Thermochromic Compositions CIBA CORPORATION 2009-12-10 US disclosed
EP-1888705-A1 REVERSIBLY THERMOCHROMIC COMPOSITIONS Ciba Specialty Chemicals Holding, Inc. (CH) 2008-02-20 EP disclosed
WO-2006131465-A1 REVERSIBLY THERMOCHROMIC COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-14 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 (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-20090302284-A1 Reversibly Thermochromic Compositions DHCR7, NES, DUT CA2 1786/4885PGAM1 3060/4885TDP1 827/4885

“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.