SCHEMBL5194243

SCHEMBL5194243

CCC(I)CC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NPC1 O15118 2/20 0.54
L3MBTL1 Q9Y468 7/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL5196965 0.85 TSHR (0.52) TSHRKMT2AMEN1NPC1L3MBTL1
SCHEMBL5193848 0.82 KMT2A (0.49) TSHRKMT2AMEN1NPC1L3MBTL1
SCHEMBL5195588 0.81 KMT2A (0.47) TSHRKMT2AMEN1NPC1L3MBTL1
SCHEMBL5196918 0.81 TSHR (0.55) TSHRKMT2AMEN1NPC1L3MBTL1
SCHEMBL5194705 0.80 TSHR (0.59) TSHRKMT2AMEN1NPC1L3MBTL1
SCHEMBL21141546 0.80 TSHR (0.59) TSHRKMT2AMEN1NPC1L3MBTL1
SCHEMBL755941 0.80 TSHR (0.59) TSHRKMT2AMEN1NPC1L3MBTL1
SCHEMBL31669567 0.80 TSHR (0.53) TSHRKMT2AMEN1NPC1L3MBTL1
SCHEMBL5194185 0.80 CES2 (0.47) TSHRKMT2AMEN1NPC1L3MBTL1
SCHEMBL5197615 0.80 CES2 (0.47) TSHRKMT2AMEN1NPC1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 EP disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 EP 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-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES TSHR 2859/4885KMT2A 3888/4885MEN1 2396/4885

“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.