SCHEMBL472842

SCHEMBL472842

O=C(O)C(C(=O)O)c1sc(=S)sc1C(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL3466752 0.63 HSD17B10 (0.44) HSD17B10ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3468019 0.63 HSD17B10 (0.50) HSD17B10ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1286933 0.60 MEN1 (0.40) HSD17B10ALDH1A1KMT2A
SCHEMBL9373154 0.55 SRC (0.41) HSD17B10ALDH1A1CYP2C19MAPTTSHR
SCHEMBL13105905 0.51 MAPT (0.30) HSD17B10MAPTTSHRKMT2A
Bicarbonate SCHEMBL551758 0.47
Bicarbonate SCHEMBL551756 0.47 CA1 (0.83) ALDH1A1TSHR
SCHEMBL482882 0.46
SCHEMBL445370 0.46 ALDH1A1 (0.46) HSD17B10ALDH1A1CYP2C19MAPTTSHR
SCHEMBL168369 0.46

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-8530673-B2 Tetrathiafulvalene derivative, and organic film and organic transistor using the same RICOH COMPANY, LTD. (JP) 2013-09-10 US disclosed
EP-2411378-B1 TETRATHIAFULVALENE DERIVATIVE, AND ORGANIC FILM AND ORGANIC TRANSISTOR USING THE SAME RICOH CO LTD (JP) 2012-12-19 EP disclosed
US-20120035364-A1 TETRATHIAFULVALENE DERIVATIVE, AND ORGANIC FILM AND ORGANIC TRANSISTOR USING THE SAME RICOH COMPANY, LTD. (JP) 2012-02-09 US disclosed
EP-2411378-A1 TETRATHIAFULVALENE DERIVATIVE, AND ORGANIC FILM AND ORGANIC TRANSISTOR USING THE SAME Ricoh Company, Ltd. (JP) 2012-02-01 EP disclosed
WO-2010110351-A1 TETRATHIAFULVALENE DERIVATIVE, AND ORGANIC FILM AND ORGANIC TRANSISTOR USING THE SAME RICOH COMPANY, LTD. (JP) 2010-09-30 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-20120035364-A1 TETRATHIAFULVALENE DERIVATIVE, AND ORGANIC FILM AND ORGANIC TRANSISTOR USING THE SAME TCOF1, F12, F5 HSD17B10 1467/4885ALDH1A1 2811/4885CYP1A2 467/4885

“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.