SCHEMBL2082912

SCHEMBL2082912

CCCCCc1sccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.40
EPAS1 Q99814 1/20 0.40
GPR35 Q9HC97 1/20 0.36
ATG4B Q9Y4P1 10/20 0.34
PLA2G1B P04054 8/20 0.34
GPR84 Q9NQS5 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
G6PD P11413 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 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
Ethylene SCHEMBL8219135 0.97 HIF1A (0.38) HIF1AEPAS1GPR35ATG4BPLA2G1B
SCHEMBL17428932 0.87 CYP2A6 (0.36) ALDH1A1TSHRTHRBTDP1CYP2A6
SCHEMBL5507102 0.82 HIF1A (0.36) HIF1AEPAS1GPR35GPR84ALDH1A1
SCHEMBL28801300 0.81 THRB (0.37) HIF1AEPAS1GPR35GPR84ALDH1A1
SCHEMBL6964424 0.79
SCHEMBL23449026 0.78 LTB4R (0.35) ALDH1A1TDP1CYP2A6
SCHEMBL10440205 0.78 LTB4R (0.52)
SCHEMBL18995061 0.76 CYP2A6 (0.36) THRBTDP1CYP2A6
SCHEMBL9836743 0.76 ALOX5 (0.43) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL18723565 0.76 LTB4R (0.43) HIF1AGPR35ALDH1A1TP53HSP90AA1

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 HIF1A 1890/4885EPAS1 4379/4885GPR35 4774/4885

“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.