SCHEMBL18102798

SCHEMBL18102798

CC(=O)NCCCNCC(O)C(O)C(O)C(O)CO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
ADRA1A P35348 1/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4A P27815 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL22096301 0.84 KDM4E (0.42) KDM4ESMN1; SMN2LMNAL3MBTL1PDE4A
SCHEMBL22096293 0.84 MEN1 (0.48) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL10337937 0.84 KDM4E (0.54) KDM4ESMN1; SMN2LMNAL3MBTL1PDE4A
SCHEMBL22096294 0.80 KDM4E (0.39) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL11413052 0.80 KDM4E (0.56) KDM4EMAPK1HIF1ASMN1; SMN2LMNA
SCHEMBL12510383 0.80 KDM4E (0.56) KDM4EMAPK1HIF1ASMN1; SMN2LMNA
SCHEMBL13280858 0.80 KDM4E (0.56) KDM4EMAPK1HIF1ASMN1; SMN2LMNA
SCHEMBL6674457 0.80 KDM4E (0.56) KDM4EMAPK1HIF1ASMN1; SMN2LMNA
SCHEMBL5707586 0.80 KDM4E (0.56) KDM4EMAPK1HIF1ASMN1; SMN2LMNA
SCHEMBL18102799 0.80 ZDHHC20 (0.42) KDM4EMAPK1LMNAL3MBTL1PDE4A

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-10683379-B2 Polymers, hydrogels, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-06-16 US disclosed
US-20160280827-A1 POLYMERS, HYDROGELS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-09-29 US disclosed
WO-2016154317-A2 POLYMERS, HYDROGELS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-29 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 (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-10683379-B2 Polymers, hydrogels, and uses thereof BOLA2; BOLA2B, PARG, BRAP PAOX 317/4885KDM4E 4052/4885MAPK1 2714/4885
US-20160280827-A1 POLYMERS, HYDROGELS, AND USES THEREOF BOLA2; BOLA2B, PARG, BRAP PAOX 317/4885KDM4E 4052/4885MAPK1 2714/4885

“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.