SCHEMBL5546782

SCHEMBL5546782

CCCCOc1cccc(C(C)=O)c1OCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.56
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL17231059 0.94 LMNA (0.60) LMNAMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9702630 0.92 LMNA (0.54) LMNAMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9774307 0.87 KMT2A (0.51) LMNAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL17530460 0.86 LMNA (0.50) LMNAMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL27731656 0.86 LMNA (0.66) LMNAMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8154526 0.85 LMNA (0.74) LMNAMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5163351 0.84 LMNA (0.56) LMNAMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL17530915 0.84 TSHR (0.66) LMNAMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8493622 0.84 LMNA (0.56) LMNAMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8080660 0.83 MEN1 (0.57) LMNAMAPTKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160319322-A1 PATHOGEN DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-11-03 US disclosed
US-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-08-04 US disclosed
US-7288593-B2 Enhanced oxygen barrier performance from modification of ethylene vinyl alcohol copolymers (EVOH) CRYOVAC, INC. (US) 2007-10-30 US disclosed
US-20060251841-A1 Enhanced oxygen barrier performance from modification of ethylene vinyl alcohol copolymers (EVOH) CHEVRON PHILLIPS CHEMICAL COMPANY LP 2006-11-09 US disclosed
US-6143197-A MIXING A COPOLYMER OF ETHYLENE AND A VINYL UNSATURATED ALICYCLIC MONOMER, A TRANSITION METAL CATALYST, SHAPING TO FORM A PACKAGING MATERIAL OR FILM, EXPOSING THE FORMED FILM OR PACKAGING MATERIAL TO ACTINIC OR ELECTRON BEAM RADIATION CRYOVAC, INC. (US) 2000-11-07 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-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF MSR1, CD74, CD4 LMNA 2564/4885MAPT 1832/4885L3MBTL1 3264/4885

“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.