SCHEMBL18102799

SCHEMBL18102799

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.33
PDE4A P27815 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TGM2 P21980 3/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 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
SCHEMBL18100121 0.87 ZDHHC20 (0.49) ZDHHC20ZDHHC2KDM4ETDP1ALDH1A1
SCHEMBL1563416 0.82 KDM4E (0.45) ZDHHC20ZDHHC2KDM4ETDP1ALDH1A1
SCHEMBL14221970 0.82 KDM4E (0.45) ZDHHC20ZDHHC2KDM4ETDP1ALDH1A1
SCHEMBL106949 0.82 KDM4E (0.45) ZDHHC20ZDHHC2KDM4ETDP1ALDH1A1
SCHEMBL3690001 0.82 KDM4E (0.45) ZDHHC20ZDHHC2KDM4ETDP1ALDH1A1
SCHEMBL14311200 0.82 KDM4E (0.45) ZDHHC20ZDHHC2KDM4ETDP1ALDH1A1
SCHEMBL1700876 0.82 ZDHHC20 (0.42) ZDHHC20ZDHHC2KDM4ETDP1ALDH1A1
SCHEMBL1700697 0.81 KDM4E (0.34) KDM4EALDH1A1LMNAPDE4AL3MBTL1
SCHEMBL11092173 0.80 ZDHHC20 (0.50) ZDHHC20ZDHHC2KDM4ETDP1ALDH1A1
SCHEMBL10337937 0.80 KDM4E (0.54) KDM4ETDP1LMNAPDE4AL3MBTL1

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 ZDHHC20 3660/4885ZDHHC2 3782/4885KDM4E 4052/4885
US-20160280827-A1 POLYMERS, HYDROGELS, AND USES THEREOF BOLA2; BOLA2B, PARG, BRAP ZDHHC20 3660/4885ZDHHC2 3782/4885KDM4E 4052/4885

“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.