SCHEMBL406374

SCHEMBL406374

CCCCCCC(C)c1cc(-c2c(C(C)CCCCCC)cc(-c3ccc(N)cc3)c3ccccc23)c2ccccc2c1-c1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LTB4R Q15722 3/20 0.34
ACHE P22303 2/20 0.33
CSNK1E P49674 1/20 0.33
DHFR P00374 1/20 0.31
SOAT1 P35610 1/20 0.30
PRKCZ Q05513 1/20 0.30
GCGR P47871 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10071781 0.94 CNR1 (0.38) CNR1CNR2LTB4RACHECSNK1E
SCHEMBL407639 0.77 CTSK (0.37) CNR2KMT2A
SCHEMBL402987 0.75 TLR8 (0.40) CNR1CNR2ACHEDHFRMEN1
SCHEMBL10041933 0.73 TLR8 (0.43) CNR1CNR2DHFRMEN1KMT2A
SCHEMBL10071168 0.71 CYP17A1 (0.39) CNR2KMT2A
SCHEMBL20086471 0.69 GRIA4 (0.45) CNR1CNR2CSNK1EMEN1KMT2A
SCHEMBL8683367 0.68 SOAT1 (0.42) CSNK1ESOAT1MEN1KMT2ANPSR1
SCHEMBL7855771 0.68 TSHR (0.38) CSNK1EMEN1KMT2A
SCHEMBL2878717 0.68 TSHR (0.38) CSNK1EMEN1KMT2A
SCHEMBL11538867 0.68 TSHR (0.38) CSNK1EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 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-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CNR1 228/4885CNR2 338/4885LTB4R 2743/4885

“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.