SCHEMBL20153934

SCHEMBL20153934

C=C(CCC/C=C\CCC)NCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.41
CNR2 P34972 3/20 0.41
FAAH O00519 2/20 0.37
EPHX1 P07099 1/20 0.34

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
SCHEMBL21291218 0.81 EPHX1 (0.44) CNR1CNR2FAAHEPHX1
SCHEMBL20652302 0.80 CNR2 (0.53) CNR1CNR2FAAH
SCHEMBL23696755 0.80 EPHX1 (0.47) CNR1CNR2FAAHEPHX1
SCHEMBL23613227 0.79 CNR1 (0.56) CNR1CNR2FAAH
SCHEMBL25973013 0.78 EPHX1 (0.50) CNR1CNR2FAAHEPHX1
SCHEMBL25110744 0.78 EPHX1 (0.50) CNR1CNR2FAAHEPHX1
SCHEMBL18625376 0.77 CYP2D6 (0.41) CNR1CNR2EPHX1
SCHEMBL18410790 0.75 CNR1 (0.46) CNR1FAAH
SCHEMBL24764125 0.72 CYP2D6 (0.37) EPHX1
SCHEMBL21291261 0.72 CYP2D6 (0.37) EPHX1

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-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2018-05-17 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-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE CALD1, CALR, CLSPN CNR1 3295/4885CNR2 3778/4885FAAH 3939/4885

“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.