SCHEMBL2908408

SCHEMBL2908408

CC(=O)OCCCCCCS(=O)(=O)c1cc2c(cc1S(=O)(=O)CCCCCCOC(C)=O)C(=O)c1c(c(O)c3ccccc3c1O)C2=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
HPGD P15428 3/20 0.37
PTGS2 P35354 1/20 0.36
PKLR P30613 3/20 0.35
TNKS2 Q9H2K2 1/20 0.34
RAD52 P43351 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
PGAM1 P18669 2/20 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
SCHEMBL2904057 0.83 KDM4E (0.43) ALDH1A1KDM4EPGAM1
SCHEMBL2906943 0.83 KDM4E (0.43) ALDH1A1KDM4EPGAM1
SCHEMBL2906203 0.82 TDP1 (0.40) CA2HPGDPKLRALDH1A1KDM4E
SCHEMBL2902113 0.80 CA2 (0.40) CA2HPGDPKLRALDH1A1KDM4E
SCHEMBL13568736 0.79 CA2 (0.39) CA2HPGDPKLRALDH1A1KDM4E
SCHEMBL2906201 0.76 PGAM1 (0.41) CA2HPGDPKLRALDH1A1KDM4E
SCHEMBL13638899 0.74 KEAP1 (0.50) CA2HPGDPTGS2RAD52ALDH1A1
SCHEMBL2903786 0.74 THRB (0.40) PGAM1
SCHEMBL13210138 0.73 TSHR (0.58) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL2908405 0.71 THRB (0.42) PKLRKDM4EPGAM1

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 1786/4885HPGD 928/4885PTGS2 2988/4885

“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.