SCHEMBL20176417

SCHEMBL20176417

CCSOCCNCCCC(=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA4 P43681 1/20 0.34
LTA4H P09960 1/20 0.32
PAOX Q6QHF9 2/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL22336919 0.80 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4LTA4H
SCHEMBL21554075 0.74 CHRNB2 (0.43) ALDH1A1CHRNB2CHRNB4CHRNA4PAOX
SCHEMBL22851385 0.73 ALDH1A1 (0.63) ALDH1A1PAOX
SCHEMBL20176156 0.72 CHRNB2 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA4PAOX
SCHEMBL25183111 0.67 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL25658866 0.66 ALDH1A1 (0.47) ALDH1A1CHRNB2CHRNB4CHRNA4PAOX
SCHEMBL408247 0.66 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL4616554 0.64 ALDH1A1 (0.54) ALDH1A1CHRNB2CHRNB4CHRNA4PAOX
SCHEMBL25339617 0.64 ALDH1A1 (0.60) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL131476 0.64 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4HTT

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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 ALDH1A1 1046/4885CHRNB2 3654/4885CHRNB4 4111/4885

“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.