SCHEMBL2901189

SCHEMBL2901189

CCCCCCCCCCCCSc1cc2c(cc1SCCCCCCCCCCCC)C(=O)c1c(c(O)c3ccccc3c1O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 9/20 0.45
PTGS2 P35354 3/20 0.44
P4HB P07237 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
GPR84 Q9NQS5 4/20 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
SCHEMBL2908399 1.00 SOAT1 (0.45) SOAT1PTGS2P4HBKDM4EMAPT
SCHEMBL2906128 0.91 GPR84 (0.41) SOAT1PTGS2P4HBGPR84
SCHEMBL2906255 0.88 TDP1 (0.40) KDM4EMAPTGPR84
SCHEMBL2903559 0.86 CA2 (0.39) KDM4EMAPT
SCHEMBL2901427 0.86 SOAT1 (0.45) SOAT1P4HBKDM4EMAPT
SCHEMBL12402097 0.85 GPR84 (0.41) SOAT1PTGS2P4HBGPR84
SCHEMBL12402081 0.83 P4HB (0.50) SOAT1PTGS2P4HBEPHX2GPR84
SCHEMBL2906564 0.82 S100A4 (0.46) KDM4EMAPT
SCHEMBL13567161 0.81 MAPT (0.42) KDM4EMAPT
SCHEMBL27755813 0.81 SOAT1 (0.50) SOAT1PTGS2P4HBKDM4EMAPT

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 8 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
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
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 SOAT1 2578/4885PTGS2 2988/4885P4HB 3355/4885

“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.