SCHEMBL17853276

SCHEMBL17853276

CC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
LMNA P02545 2/20 0.43
SLC15A2 Q16348 1/20 0.43
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 1/20 0.36
PAOX Q6QHF9 1/20 0.36
CES2 O00748 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TRPA1 O75762 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL17971011 1.00 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TSHRTDP1
SCHEMBL17853277 1.00 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TSHRTDP1
SCHEMBL18769029 1.00 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TSHRTDP1
SCHEMBL17853275 1.00 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TSHRTDP1
SCHEMBL18768950 1.00 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TSHRTDP1
SCHEMBL17776318 1.00 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TSHRTDP1
SCHEMBL10086608 1.00 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TSHRTDP1
SCHEMBL22198371 1.00 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TSHRTDP1
SCHEMBL22198424 1.00 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TSHRTDP1
SCHEMBL17776317 1.00 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TSHRTDP1

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
EP-3922260-A2 INSULIN RECEPTOR PARTIAL AGONISTS AND GLP-1 ANALOGUES MERCK SHARP & DOHME CORP. (US) 2021-12-15 EP disclosed
US-9902754-B2 Modified peptides as potent inhibitors of the PSD-95/NMDA receptor interaction UNIVERSITY OF COPENHAGEN (DK) 2018-02-27 US disclosed
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-04-20 US disclosed
US-20160176924-A1 MODIFIED PEPTIDES AS POTENT INHIBITORS OF THE PSD-95/NMDA RECEPTOR INTERACTION UNIVERSITY OF COPENHAGEN (DK) 2016-06-23 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 (3 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-20160176924-A1 MODIFIED PEPTIDES AS POTENT INHIBITORS OF THE PSD-95/NMDA RECEPTOR INTERACTION PSD, GRIN1, GRIN3B ALDH1A1 4849/4885LMNA 3985/4885SLC15A2 3311/4885
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 ALDH1A1 4716/4885LMNA 4484/4885SLC15A2 2837/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 ALDH1A1 4716/4885LMNA 4484/4885SLC15A2 2837/4885

“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.