SCHEMBL343822

SCHEMBL343822

C=CC(=O)OC(CCC)OC(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 4/20 0.33
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRA P10827 1/20 0.31
CTSK P43235 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL544590 0.91 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL8961961 0.85 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL4958816 0.84 TDP1 (0.39) TSHRALDH1A1TP53CYP3A4CTSK
SCHEMBL8961983 0.84 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27813096 0.84 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11659507 0.83 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL13924332 0.82 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL153584 0.81 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL8962107 0.80 TSHR (0.44) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL1507509 0.80 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53

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-8648212-B2 Process for preparing solutions of radiation-sensitive, free-radically polymerizable organic compounds BASF SE (DE) 2014-02-11 US disclosed
US-20120016079-A1 PROCESS FOR PREPARING SOLUTIONS OF RADIATION-SENSITIVE, FREE-RADICALLY POLYMERIZABLE ORGANIC COMPOUNDS BASF SE (DE) 2012-01-19 US disclosed
US-7682522-B2 optically active compound capable of being used as a chiral agent, a liquid crystal composition CHISSO CORPORATION (JP) 2010-03-23 US disclosed
EP-2060617-A1 Polymerizable menthol derivative Chisso Corporation (JP) 2009-05-20 EP disclosed
US-20090121187-A1 POLYMERIZABLE MENTHOL DERIVATIVE CHISSO CORPORATION (JP) 2009-05-14 US disclosed
US-7264749-B2 Alkyne compounds BASF AKTIENGESELLSCHAFT (DE) 2007-09-04 US disclosed
US-20050151118-A1 Polymerizable liquid-crystalline compositions for producing films or pigments, optical components, printed or coated substrates, broadband reflective elements in electrooptical applications BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 US disclosed
US-6136225-A USED IN OPTICAL DISPLAY DEVICES AND IN CHOLESTERIC LIQUID-CRYSTALLINE COLORANTS, PIGMENTS BASF AKTIENGESELLSCHAFT (DE) 2000-10-24 US 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-20090121187-A1 POLYMERIZABLE MENTHOL DERIVATIVE CHRM1, CNR1, CARM1 TSHR 2321/4885HPGD 1451/4885THRB 1751/4885

“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.