SCHEMBL2084620

SCHEMBL2084620

CC(=O)OCc1sccc1C(C)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALOX5 P09917 1/20 0.30
KMT2A Q03164 1/20 0.30
CA2 P00918 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL2080168 0.84 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E
SCHEMBL2242512 0.76 ALOX5 (0.47) ALDH1A1CYP1A2CYP2C19CYP3A4HPGD
SCHEMBL27658638 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19CYP3A4NPC1
SCHEMBL27658739 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19CYP3A4HPGD
SCHEMBL2082321 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19CYP3A4NPC1
SCHEMBL2083548 0.74 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E
SCHEMBL2083349 0.72 KMT2A (0.39) ALDH1A1CYP1A2RAB9AKDM4EALOX5
SCHEMBL2082568 0.71 MEN1 (0.33) ALDH1A1HPGDKMT2A
SCHEMBL8626546 0.68 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19CYP3A4HPGD
SCHEMBL11888072 0.67 KEAP1 (0.32) ALDH1A1CYP1A2CYP3A4NPC1HPGD

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 9 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
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-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-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
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
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 ALDH1A1 295/4885CYP1A2 236/4885CYP2C19 469/4885

“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.