SCHEMBL20176458

SCHEMBL20176458

CNC(=O)CCCCNCCOS

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.37
NAMPT P43490 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.34
LTA4H P09960 2/20 0.34
RECQL P46063 1/20 0.32
BCHE P06276 1/20 0.32
CHRM2 P08172 1/20 0.32
ACHE P22303 1/20 0.32
HDAC3 O15379 4/20 0.32
HDAC1 Q13547 4/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC8 Q9BY41 4/20 0.32
NCOR2 Q9Y618 2/20 0.32
HDAC6 Q9UBN7 2/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC9 Q9UKV0 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
SCHEMBL20176419 0.95 LMNA (0.36) PAOXNAMPTLMNATSHRLTA4H
SCHEMBL20176413 0.84 TSHR (0.47) PAOXNAMPTLMNATSHRRECQL
SCHEMBL10044369 0.80 TSHR (0.56) PAOXLMNATSHRRECQL
SCHEMBL21554109 0.79 DEGS1 (0.41) PAOXNAMPTLMNATSHR
SCHEMBL22336916 0.78 TSHR (0.48) LMNATSHRRECQL
SCHEMBL22836985 0.77 ALDH1A1 (0.48) PAOXTSHR
SCHEMBL12942537 0.76 LMNA (0.46) PAOXNAMPTLMNATSHRHDAC1
SCHEMBL24427125 0.76 HSP90AA1 (0.55) TSHR
SCHEMBL25644265 0.76 PAOX (0.46) PAOXNAMPTLMNAHDAC3HDAC1
SCHEMBL24065982 0.76 PAOX (0.52) PAOXNAMPT

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 PAOX 3692/4885NAMPT 4356/4885LMNA 3864/4885

“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.