SCHEMBL6304679

SCHEMBL6304679

COc1ccc(C(NCCCCCC(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDE4B Q07343 1/20 0.47
KIF11 P52732 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTB4R Q15722 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
FFAR1 O14842 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KCNH2 Q12809 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL10276699 0.89 KIF11 (0.46) NPC1RAB9APDE4BKIF11SMN1; SMN2
SCHEMBL3607590 0.87 TBXA2R (0.51) KIF11HDAC3HDAC1MAPK1ALDH1A1
SCHEMBL7168986 0.86 KIF11 (0.52) KIF11SMN1; SMN2HDAC3HDAC1PPARA
SCHEMBL10309879 0.85 KIF11 (0.45) NPC1RAB9AKIF11SMN1; SMN2KCNH2
SCHEMBL8053146 0.85 KIF11 (0.45) NPC1RAB9AKIF11SMN1; SMN2KCNH2
SCHEMBL6302955 0.85 KIF11 (0.45) NPC1RAB9AKIF11SMN1; SMN2KCNH2
SCHEMBL6476023 0.83 KIF11 (0.43) NPC1RAB9AKIF11SMN1; SMN2MAPK1
SCHEMBL8040236 0.82 KIF11 (0.44) NPC1RAB9AKIF11SMN1; SMN2KCNH2
SCHEMBL3921295 0.82 KIF11 (0.44) NPC1RAB9AKIF11SMN1; SMN2KCNH2
SCHEMBL12049184 0.82 KIF11 (0.58) NPC1RAB9AKIF11SMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147367-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. Hoffmann-La Roche AG (CH) 2017-03-29 EP disclosed
US-6951930-B2 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20030113765-A1 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES, INC. (US) 2003-06-19 US disclosed
US-6472153-B1 COVALENTLY BOUND OLIGONUCLEOTIDE/MINOR GROOVE BINDER/LATENT FLUOROPHORE COMBINATION EPOCH BIOSCIENCES, INC. 2002-10-29 US disclosed
EP-1224332-A1 HYBRIDIZATION-TRIGGERED FLUORESCENT DETECTION OF NUCLEIC ACIDS Epoch Biosciences, Inc. (US) 2002-07-24 EP disclosed
WO-2001031063-A1 HYBRIDIZATION-TRIGGERED FLUORESCENT DETECTION OF NUCLEIC ACIDS EPOCH BIOSCIENCES, INC. (US) 2001-05-03 WO 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-20030113765-A1 Hybridization-triggered fluorescent detection of nucleic acids DDX21, RNGTT, NOP2 NPC1 2391/4885RAB9A 4224/4885PDE4B 4171/4885

“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.