SCHEMBL2164075

SCHEMBL2164075

CCCCCCCCCCCCSc1ccc2c(c1SCCCCCCCCCCCC)C(=O)c1c(O)c(C)c(C)c(O)c1C2=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.39
CTSG P08311 3/20 0.39
P4HB P07237 1/20 0.39
SOAT1 P35610 10/20 0.37
THRB P10828 1/20 0.37
PTGS2 P35354 3/20 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
SCHEMBL2164874 0.88 P4HB (0.45) ELANECTSGP4HBSOAT1THRB
SCHEMBL27755803 0.84 P4HB (0.47) ELANECTSGP4HBSOAT1PTGS2
SCHEMBL12402097 0.82 GPR84 (0.41) P4HBSOAT1THRBPTGS2
SCHEMBL11884526 0.77 KDM4E (0.51) ELANECTSGP4HBSOAT1THRB
SCHEMBL2906128 0.71 GPR84 (0.41) P4HBSOAT1THRBPTGS2
SCHEMBL2908399 0.71 SOAT1 (0.45) P4HBSOAT1PTGS2
SCHEMBL2901189 0.71 SOAT1 (0.45) P4HBSOAT1PTGS2
SCHEMBL7855715 0.70 SOAT1 (0.52) ELANECTSGP4HBSOAT1PTGS2
SCHEMBL27755813 0.70 SOAT1 (0.50) P4HBSOAT1PTGS2
SCHEMBL12402081 0.70 P4HB (0.50) P4HBSOAT1PTGS2

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-8277695-B2 Reversibly thermochromic compositions BASF SE (DE) 2012-10-02 US disclosed
EP-2032657-B1 REVERSIBLY THERMOCHROMIC COMPOSITIONS BASF SE (DE) 2011-08-10 EP disclosed
US-20110180767-A1 Reversibly thermochromic compositions CIBA CORPORATION 2011-07-28 US disclosed
EP-2032657-A2 REVERSIBLY THERMOCHROMIC COMPOSITIONS Ciba Holding Inc. (CH) 2009-03-11 EP disclosed
WO-2007147847-A2 REVERSIBLY THERMOCHROMIC COMPOSITIONS CIBA HOLDING INC. (CH) 2007-12-27 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-20110180767-A1 Reversibly thermochromic compositions C1R, C3AR1, C9 ELANE 4215/4885CTSG 4051/4885P4HB 174/4885

“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.