SCHEMBL5136984

SCHEMBL5136984

C=CCc1cccc(B(O)O)c1CC=C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
AKR1B1 P15121 1/20 0.37
GAA P10253 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 5/20 0.34
LMNA P02545 1/20 0.34
MTNR1A P48039 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
PKM P14618 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
SCHEMBL17472450 0.83 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL2942285 0.82 LIPG (0.48) GABRA1GABRB2LIPGALDH1A1LMNA
SCHEMBL7233310 0.81 GABRA1 (0.61) GABRA1GABRB2AKR1B1GAAMEN1
SCHEMBL18136 0.80 GABRA1 (0.56) GABRA1GABRB2AKR1B1GAAMEN1
SCHEMBL28289965 0.76 GABRA1 (0.50) GABRA1GABRB2AKR1B1GAALIPG
SCHEMBL5450147 0.76 GABRA1 (0.53) GABRA1GABRB2AKR1B1GAAMEN1
SCHEMBL9003490 0.75 GABRA1 (0.47) GABRA1GABRB2AKR1B1GAAMEN1
SCHEMBL624570 0.75 GABRA1 (0.47) GABRA1GABRB2AKR1B1GAAMEN1
SCHEMBL616173 0.75 GABRA1 (0.52) GABRA1GABRB2AKR1B1GAAMEN1
SCHEMBL254084 0.75 GABRA1 (0.57) GABRA1GABRB2AKR1B1GAAMEN1

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
EP-1572606-A4 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENT CO (US) 2008-07-09 EP disclosed
US-7205427-B2 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes BOULDER SCIENTIFIC COMPANY (US) 2007-04-17 US disclosed
EP-1572606-A2 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2005-09-14 EP disclosed
US-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes ANTARES CAPITAL LP, AS AGENT 2004-12-30 US disclosed
WO-2003101601-A2 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2003-12-11 WO 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-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.