SCHEMBL2908405

SCHEMBL2908405

CCCCCCCCCCCCS(=O)(=O)c1ccc2c(c1)C(=O)c1c(c(O)c3ccccc3c1O)C2=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.42
PGAM1 P18669 1/20 0.42
THRA P10827 1/20 0.42
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
SERPINE1 P05121 1/20 0.37
PTPN1 P18031 1/20 0.36
PKLR P30613 1/20 0.36
PARG Q86W56 1/20 0.36
BRAF P15056 2/20 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
SCHEMBL2904057 0.86 KDM4E (0.43) THRBPGAM1KDM4EMAPTALOX5AP
SCHEMBL2906943 0.86 KDM4E (0.43) THRBPGAM1KDM4EMAPTALOX5AP
SCHEMBL13568738 0.77 PKLR (0.44) PGAM1KDM4EMAPTPTPN1PKLR
SCHEMBL2903786 0.77 THRB (0.40) THRBPGAM1THRA
SCHEMBL2901427 0.76 SOAT1 (0.45) THRBPGAM1THRAKDM4EMAPT
SCHEMBL2906203 0.74 TDP1 (0.40) PGAM1KDM4EMAPTPTPN1PKLR
SCHEMBL9555081 0.74 TRPV1 (0.48) THRBTHRASERPINE1
SCHEMBL9761319 0.74 ALDH1A1 (0.46) THRBTHRAKDM4EMAPTPARG
SCHEMBL2908399 0.73 SOAT1 (0.45) KDM4EMAPT
SCHEMBL2901189 0.73 SOAT1 (0.45) KDM4EMAPT

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 6 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
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 THRB 2800/4885PGAM1 3060/4885THRA 1596/4885

“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.