SCHEMBL966487

SCHEMBL966487

CC1COC2(CCC(CC(=O)O)CC2)O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 14/20 0.36
FFAR1 O14842 1/20 0.34
SLC6A1 P30531 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
SLC6A11 P48066 2/20 0.33
SLC6A13 Q9NSD5 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32

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
SCHEMBL2977557 0.83 FFAR4 (0.36) FFAR4FFAR1SLC6A1GABRA5GABRB2
SCHEMBL12614761 0.78 GRM2 (0.34) GABRA5GABRB2GABRA1GABRA4
SCHEMBL2450101 0.75 FFAR4 (0.39) FFAR4FFAR1SLC6A1GABRA5GABRB2
SCHEMBL12362126 0.73
SCHEMBL2362461 0.70 NSD2 (0.35)
SCHEMBL3306431 0.69 FFAR4 (0.37) FFAR4FFAR1SLC6A1GABRA5GABRB2
SCHEMBL13327501 0.69 FFAR4 (0.37) FFAR4FFAR1SLC6A1GABRA5GABRB2
SCHEMBL939927 0.69 FFAR4 (0.44) FFAR4FFAR1SLC6A1GABRA5GABRB2
SCHEMBL14272690 0.68
SCHEMBL3308565 0.68 PABPC1 (0.42)

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-8344163-B2 Nitrile compound and its use for control of arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-20110021627-A1 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-27 US 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-20110021627-A1 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST C5, OR10J3, NOX3 FFAR4 947/4885FFAR1 2117/4885SLC6A1 4396/4885

“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.