SCHEMBL2904057

SCHEMBL2904057

CCCCCCCCCCCCS(=O)(=O)c1cc2c(cc1S(=O)(=O)CCCCCCCCCCCC)C(=O)c1c(c(O)c3ccccc3c1O)C2=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
PGAM1 P18669 1/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
THRB P10828 2/20 0.38
BRAF P15056 2/20 0.38

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
SCHEMBL2906943 1.00 KDM4E (0.43) KDM4EMAPTPGAM1EPHX2ALDH1A1
SCHEMBL2903786 0.91 THRB (0.40) PGAM1EPHX2THRB
SCHEMBL2906203 0.88 TDP1 (0.40) KDM4EMAPTPGAM1ALDH1A1
SCHEMBL2902113 0.86 CA2 (0.40) KDM4EMAPTPGAM1ALDH1A1
SCHEMBL2908405 0.86 THRB (0.42) KDM4EMAPTPGAM1ALOX5APFEN1
SCHEMBL13568736 0.85 CA2 (0.39) KDM4EMAPTPGAM1ALDH1A1
SCHEMBL12402099 0.85 THRB (0.40) PGAM1EPHX2THRB
SCHEMBL12402087 0.83 SERPINE1 (0.43) MAPTEPHX2THRB
SCHEMBL2908408 0.83 CA2 (0.39) KDM4EPGAM1ALDH1A1
SCHEMBL2906201 0.82 PGAM1 (0.41) KDM4EMAPTPGAM1ALDH1A1THRB

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 KDM4E 3804/4885MAPT 1138/4885PGAM1 3060/4885

“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.