SCHEMBL5355188

SCHEMBL5355188

O=C(O)C1(C(=O)OCc2ccccc2)CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 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
SCHEMBL5358863 0.94 KMT2A (0.54) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL1200111 0.89 DDB1 (0.54) KMT2ADDB1CRBNALDH1A1MAPK1
SCHEMBL7607904 0.88 DDB1 (0.48) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL3555789 0.86 DDB1 (0.51) KMT2ADDB1CRBNALDH1A1MAPK1
SCHEMBL595870 0.86 DDB1 (0.51) KMT2ADDB1CRBNALDH1A1MAPK1
SCHEMBL4429190 0.84 DDB1 (0.50) KMT2ADDB1CRBNALDH1A1MAPK1
SCHEMBL1966881 0.83 KMT2A (0.52) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL16661304 0.82 DDB1 (0.56) KMT2ADDB1CRBNALDH1A1MAPK1
SCHEMBL1971471 0.82 KMT2A (0.51) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL5030262 0.82 DDB1 (0.48) KMT2ADDB1CRBNALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100432038-C Method for producing nitrile compound, carboxylic acid compound or carboxylic ester compound UBE INDUSTRIES (JP) 2008-11-12 CN disclosed
US-7300953-B2 Process for preparing nitrile compound, carboxylic acid compound or carboxylic acid ester compound UBE INDUSTRIES, LTD (JP) 2007-11-27 US disclosed
US-20060287541-A1 Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran UBE INDUSTRIES, LTD. (JP) 2006-12-21 US disclosed
CN-1852885-A Method for producing nitrile compound, carboxylic acid compound or carboxylic ester compound UBE INDUSTRIES (JP) 2006-10-25 CN disclosed
EP-1671937-A1 METHOD FOR PRODUCING NITRILE COMPOUND, CARBOXYLIC ACID COMPOUND OR CARBOXYLATE COMPOUND Ube Industries, Ltd. (JP) 2006-06-21 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-20060287541-A1 Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran CBR1, ALDH18A1, ME1 KMT2A 3180/4885MEN1 774/4885NPSR1 670/4885

“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.