SCHEMBL2164874

SCHEMBL2164874

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.45
ELANE P08246 3/20 0.43
CTSG P08311 3/20 0.43
THRB P10828 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAF1 P04049 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CSNK2A2 P19784 1/20 0.42
MAOA P21397 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
BRCA1 P38398 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL2164075 0.88 ELANE (0.39) P4HBELANECTSGTHRBSOAT1
SCHEMBL11884526 0.87 KDM4E (0.51) P4HBELANECTSGTHRBKDM4E
SCHEMBL12402081 0.82 P4HB (0.50) P4HBSOAT1PTGS2EPHX2
SCHEMBL8677885 0.79 P4HB (0.46) P4HBELANECTSGTHRBSOAT1
SCHEMBL8676993 0.79 P4HB (0.46) P4HBELANECTSGTHRBSOAT1
SCHEMBL8680447 0.79 P4HB (0.46) P4HBELANECTSGTHRBSOAT1
SCHEMBL8676754 0.79 P4HB (0.46) P4HBELANECTSGTHRBSOAT1
SCHEMBL8677938 0.76 MEN1 (0.54) P4HBMEN1MAPTHPGDMAOA
SCHEMBL7855715 0.72 SOAT1 (0.52) P4HBELANECTSGSOAT1PTGS2
SCHEMBL27755813 0.72 SOAT1 (0.50) P4HBKDM4EMEN1ALDH1A1CYP3A4

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 P4HB 174/4885ELANE 4215/4885CTSG 4051/4885

“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.