SCHEMBL6722153

SCHEMBL6722153

[O]CCC#CCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CALM1 P0DP23 1/20 0.36
EPHX2 P34913 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKR1B1 P15121 1/20 0.34
SRR Q9GZT4 2/20 0.34
TSHR P16473 2/20 0.33
IDO1 P14902 1/20 0.33
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TRPA1 O75762 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
SCHEMBL6722507 0.87 KCNH2 (0.41) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL3888886 0.83 CALM1 (0.50) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL96274 0.81 FFAR1 (0.43) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL5700795 0.79 FFAR1 (0.49) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL3218912 0.77 KCNH2 (0.51) FFAR1FFAR4KCNH2CALM1TP53
SCHEMBL10367266 0.77 IDO1 (0.44) FFAR1FFAR4KCNH2ALDH1A1CALM1
SCHEMBL14085350 0.77 HTR2A (0.46) FFAR1FFAR4KCNH2LOXL2
SCHEMBL6722156 0.77 TDP1 (0.46) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL7786785 0.77 KCNH2 (0.40) FFAR1FFAR4KCNH2ALDH1A1CALM1
SCHEMBL7448019 0.77 FFAR1 (0.57) FFAR1FFAR4AKR1B1

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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 FFAR1 2393/4885FFAR4 3167/4885KCNH2 856/4885

“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.