SCHEMBL14906259

SCHEMBL14906259

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.59
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
APAF1 O14727 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CCKBR P32239 9/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MPO P05164 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
MTNR1A P48039 1/20 0.50

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
SCHEMBL7766717 0.87 KDM4E (0.55) BCHEKDM4EMAPTAPAF1POLB
SCHEMBL7766713 0.87 KDM4E (0.55) BCHEKDM4EMAPTAPAF1POLB
SCHEMBL14906335 0.86 SMN1; SMN2 (0.52) BCHEKDM4EMAPTAPAF1POLB
SCHEMBL30735894 0.85 KDM4E (0.64) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL7598498 0.81 SMN1; SMN2 (0.59) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL30078422 0.80 SMN1; SMN2 (0.62) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL7637083 0.80 SMN1; SMN2 (0.55) BCHEKDM4EMAPTAPAF1POLB
SCHEMBL3855611 0.80 KDM4E (0.68) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL29212821 0.80 KDM4E (0.68) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL3855614 0.80 KDM4E (0.68) KDM4EMAPTAPAF1POLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512073-B2 Amino acid-, peptide-and polypeptide-lipids, isomers, compositions, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-06 US disclosed
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 US disclosed
WO-2013063468-A1 AMINO ACID DERIVATES FUNCTIONALIZED ON THE N- TERMINAL CAPABLE OF FORMING DRUG INCAPSULATING MICROSPHERES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-02 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-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 BCHE 1279/4885KDM4E 2762/4885MAPT 3944/4885

“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.