SCHEMBL5450147

SCHEMBL5450147

C=CCc1cccc(CC=C)c1B(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.53
GABRB2 P47870 2/20 0.53
AKR1B1 P15121 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 6/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CASP1 P29466 1/20 0.35
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP4K4 O95819 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL23685407 0.87 GABRA1 (0.46) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL28289966 0.82 GABRA1 (0.50) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL2942285 0.77 LIPG (0.48) GABRA1GABRB2ALDH1A1LMNAKDM4E
SCHEMBL7233310 0.76 GABRA1 (0.61) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL5136984 0.76 GABRA1 (0.47) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL168974 0.75 GABRA1 (0.79) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL5824091 0.74 GABRA1 (0.58) GABRA1GABRB2AKR1B1KMT2AMEN1
Hydrogen Peroxide SCHEMBL7819301 0.74 GABRA1 (0.58) GABRA1GABRB2AKR1B1KMT2AMEN1
Hydrogen Peroxide SCHEMBL10784213 0.74 GABRA1 (0.58) GABRA1GABRB2AKR1B1KMT2AMEN1
Boric Acid SCHEMBL8622423 0.74 GABRA1 (0.63) GABRA1GABRB2AKR1B1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205427-B2 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes BOULDER SCIENTIFIC COMPANY (US) 2007-04-17 US claimed
US-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes ANTARES CAPITAL LP, AS AGENT 2004-12-30 US claimed

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-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes DDT, DUOX2, DYRK4 GABRA1 1204/4885GABRB2 976/4885AKR1B1 792/4885

“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.