SCHEMBL5144789

SCHEMBL5144789

O=C(O)c1ccc(C#CC#Cc2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.52
HSD17B10 Q99714 2/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL21679889 0.91 HNF4A (0.60) HNF4AHSD17B10CDC25ACDC25BALDH1A1
SCHEMBL20503723 0.91 HNF4A (0.60) HNF4AHSD17B10CDC25ACDC25BALDH1A1
SCHEMBL27178395 0.89 HNF4A (0.63) HNF4AHSD17B10CDC25ACDC25BALDH1A1
SCHEMBL27178358 0.83 HNF4A (0.62) HNF4AHSD17B10CDC25ACDC25BALDH1A1
SCHEMBL27178330 0.83 HNF4A (0.58) HNF4AHSD17B10CDC25ACDC25BALDH1A1
SCHEMBL28811895 0.83 HNF4A (0.49) HNF4AHSD17B10CDC25ACDC25BALDH1A1
SCHEMBL29861585 0.83 HNF4A (0.49) HNF4AHSD17B10CDC25ACDC25BALDH1A1
SCHEMBL542005 0.83 HNF4A (0.73) HNF4AHSD17B10CDC25ACDC25BALDH1A1
SCHEMBL15524796 0.83 ALDH1A1 (0.55) HNF4AHSD17B10ALDH1A1TDP1POLB
SCHEMBL10411995 0.82 TSHR (0.57) HNF4AHSD17B10ALDH1A1CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF FUJIFILM CORPORATION (JP) 2008-11-20 US 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-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF KEAP1, CBR1, PROC HNF4A 4268/4885HSD17B10 204/4885CDC25A 3288/4885

“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.