SCHEMBL5362010

SCHEMBL5362010

C/C(C=O)=C\C1(C(=O)OCc2ccccc2)CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
GRM5 P41594 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5362016 1.00 ALDH1A1 (0.46) ALDH1A1DDB1CRBNHCAR2GRM5
SCHEMBL13166364 0.88 ALDH1A1 (0.50) ALDH1A1DDB1CRBNHCAR2GRM5
SCHEMBL5370676 0.88 TDP1 (0.51) L3MBTL1SLC6A3TDP1
SCHEMBL5370679 0.88 TDP1 (0.51) L3MBTL1SLC6A3TDP1
SCHEMBL5361661 0.87 MEN1 (0.39) ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL5367568 0.85 ALDH1A1 (0.47) ALDH1A1DDB1CRBNHCAR2GRM5
SCHEMBL5367562 0.85 ALDH1A1 (0.47) ALDH1A1DDB1CRBNHCAR2GRM5
SCHEMBL5364939 0.84 ALDH1A1 (0.46) ALDH1A1DDB1CRBNHCAR2GRM5
SCHEMBL5364945 0.84 ALDH1A1 (0.46) ALDH1A1DDB1CRBNHCAR2GRM5
SCHEMBL5377618 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276622-B2 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-02 US disclosed
US-20060173221-A1 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-03 US disclosed
EP-1609777-A1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND Sumitomo Chemical Company, Limited (JP) 2005-12-28 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-20060173221-A1 Method for producing oxygen-containing compound GPX4, DUOX2, SCO2 ALDH1A1 863/4885DDB1 2590/4885CRBN 3224/4885

“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.