SCHEMBL23967395

SCHEMBL23967395

O=C(O)CC(NC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PADI1 Q9ULC6 1/20 0.45
PADI4 Q9UM07 1/20 0.45
CASP3 P42574 3/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 3/20 0.44
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
PKLR P30613 1/20 0.42
EPHX1 P07099 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F2R P25116 1/20 0.40

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
SCHEMBL7898517 1.00 MME (0.46) MMESMN1; SMN2PADI1PADI4CASP3
SCHEMBL28910144 0.98 MME (0.45) MMESMN1; SMN2PADI1PADI4CASP3
SCHEMBL25206156 0.91 LMNA (0.47) MMECASP3LMNACA2CA4
SCHEMBL25206154 0.91 LMNA (0.47) MMECASP3LMNACA2CA4
SCHEMBL5209318 0.86 SMN1; SMN2 (0.47) SMN1; SMN2PADI1PADI4CASP3HDAC8
SCHEMBL1075861 0.86 ECE1 (0.42) SMN1; SMN2PADI1PADI4HDAC8HDAC6
SCHEMBL5322759 0.86 ECE1 (0.42) SMN1; SMN2PADI1PADI4HDAC8HDAC6
SCHEMBL2797000 0.84 HDAC8 (0.45) PADI1PADI4HDAC8HDAC6LMNA
SCHEMBL2794690 0.84 HDAC8 (0.45) PADI1PADI4HDAC8HDAC6LMNA
SCHEMBL2795524 0.84 HDAC8 (0.45) PADI1PADI4HDAC8HDAC6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403655-A1 NUCLEATING AGENT FOR POLYOLEFIN RESIN, NUCLEATING AGENT COMPOSITION FOR POLYOLEFIN RESIN CONTAINING SAME, MASTER BATCH FOR POLYOLEFIN RESIN, POLYOLEFIN RESIN COMPOSITION, MOLDED ARTICLE THEREOF, FILM THEREOF, METHOD FOR PRODUCING POROUS FILM, AND PACKAGE ADEKA CORPORATION (JP) 2021-12-30 US disclosed
EP-3904446-A1 NUCLEATING AGENT FOR POLYOLEFIN RESIN, NUCLEATING AGENT COMPOSITION FOR POLYOLEFIN RESIN CONTAINING SAME, MASTER BATCH FOR POLYOLEFIN RESIN, POLYOLEFIN RESIN COMPOSITION, MOLDED ARTICLE THEREOF, FILM THEREOF, METHOD FOR PRODUCING POROUS FILM, AND PACKAGE ADEKA CORPORATION (JP) 2021-11-03 EP 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-20210403655-A1 NUCLEATING AGENT FOR POLYOLEFIN RESIN, NUCLEATING AGENT COMPOSITION FOR POLYOLEFIN RESIN CONTAINING SAME, MASTER BATCH FOR POLYOLEFIN RESIN, POLYOLEFIN RESIN COMPOSITION, MOLDED ARTICLE THEREOF, FILM THEREOF, METHOD FOR PRODUCING POROUS FILM, AND PACKAGE NXF1, TAF1, RTF1 MME 3600/4885SMN1; SMN2 1005/4885PADI1 2796/4885

“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.