SCHEMBL1226431

SCHEMBL1226431

C/C=C/c1ccc(OCCCC/C=C/c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.52
CHRNA7 P36544 14/20 0.52
CHRNA10 Q9GZZ6 5/20 0.52
CHRNA9 Q9UGM1 5/20 0.52
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
RELA Q04206 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL6179433 0.91 RELA (0.49) PPARACHRNA7CHRNA10CHRNA9CHRNB4
SCHEMBL6179434 0.91 RELA (0.49) PPARACHRNA7CHRNA10CHRNA9CHRNB4
SCHEMBL1171656 0.84 LTB4R (0.56) PPARACHRNA7CHRNA10CHRNA9
SCHEMBL1171655 0.84 LTB4R (0.56) PPARACHRNA7CHRNA10CHRNA9
SCHEMBL13464287 0.80 NR5A1 (0.54) CHRNA7CHRNA10CHRNA9TP53
Phosphoric Acid SCHEMBL27998536 0.79 PPARA (0.52) PPARACHRNA7
SCHEMBL13639157 0.79 KCNA3 (0.61) ALDH1A1
SCHEMBL886955 0.77 IDO1 (0.44) PPARACHRNA7MEN1KMT2A
SCHEMBL13639165 0.77 KCNA3 (0.59)
SCHEMBL4525962 0.77 RELA (0.47) PPARACHRNA7CHRNA10CHRNA9CHRNB4

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
EP-2459727-A2 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2012-06-06 EP claimed
US-20120123155-A1 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2012-05-17 US claimed
WO-2011012632-A2 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2011-02-03 WO 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-20120123155-A1 BIOCATALYST FOR CATALYTIC HYDROAMINATION HDHD5, PAH, GRHPR PPARA 1880/4885CHRNA7 4798/4885CHRNA10 4777/4885

“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.