SCHEMBL2084894

SCHEMBL2084894

c1csc(CCCOC2CCCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4C Q9H3R0 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HSD17B10 Q99714 1/20 0.37
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2987452 0.92 KDM4C (0.51) KMT2AMEN1KDM4CL3MBTL1TAAR1
SCHEMBL6042775 0.86 KMT2A (0.45) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL6042771 0.86 KMT2A (0.45) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL10998191 0.80 TAAR1 (0.44) KMT2AMEN1L3MBTL1TAAR1NPC1
SCHEMBL30416895 0.78 MEN1 (0.53) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL10341111 0.78 HRH3 (0.37) KMT2AMEN1KDM4CTAAR1NPC1
SCHEMBL9673310 0.77 KDM4C (0.53) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL80944 0.76 KDM4C (0.54) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL11024894 0.76 MEN1 (0.54) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL1008487 0.75 MEN1 (0.54) KMT2AMEN1KDM4CL3MBTL1HRH3

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-1854791-B1 NOVEL THIOPHENE COMPOUND AND PROCESS FOR PRODUCING CAFFENOFURAN OR ANALOGUE THEREOF FROM THE SAME SAN EI GEN FFI INC (JP) 2011-07-13 EP disclosed
US-7897790-B2 synthetic intermediate that is useful for efficient production of kahweofuran; flavoring; when thiophene compound is reacted in hydrogen atmosphere using transition metal catalyst, cyclization occurs simultaneously with reduction, to produce a 2,3-dihydrothieno[2,3c]furan skeleton in a single step SAN-EI GEN F.F.I., INC. (JP) 2011-03-01 US disclosed
US-20080167481-A1 Novel Thiophene Compound and Process for Producing Caffenofuran or Analogue Thereof from the Same SAN EI GEN F.F.I., INC. (JP) 2008-07-10 US disclosed
EP-1854791-A1 NOVEL THIOPHENE COMPOUND AND PROCESS FOR PRODUCING CAFFENOFURAN OR ANALOGUE THEREOF FROM THE SAME SAN-EI GEN F.F.I., INC. (JP) 2007-11-14 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-20080167481-A1 Novel Thiophene Compound and Process for Producing Caffenofuran or Analogue Thereof from the Same CYP4F3, CBR3, GTF3C4 KMT2A 1406/4885MEN1 2693/4885KDM4C 32/4885

“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.