SCHEMBL17229458

SCHEMBL17229458

O=C(O)CCOCCNCCOCCOCCOCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CD274 Q9NZQ7 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
LTA4H P09960 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33

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
SCHEMBL17089915 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL18882749 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL30433408 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL26689478 0.98 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7191311 0.98 LMNA (0.38) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL30449392 0.90 FFAR3 (0.39) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL30448818 0.90 FFAR3 (0.39) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL22301008 0.90 FFAR3 (0.39) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL22444994 0.90 ALDH1A1 (0.41) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL28978087 0.90 FFAR3 (0.39) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1

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-20150322155-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE Sushou M-conj Biotech Co., Ltd (CN) 2015-11-12 US disclosed
US-20150314017-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD (CN) 2015-11-05 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 (2 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-20150322155-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE DCLRE1A, AADAC, UACA SMN1; SMN2 4698/4885MEN1 1621/4885KMT2A 2220/4885
US-20150314017-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM SMN1; SMN2 3882/4885MEN1 1221/4885KMT2A 2757/4885

“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.