SCHEMBL18102802

SCHEMBL18102802

C=CC(=O)NCNC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 1/20 0.36
PTPN11 Q06124 1/20 0.35
CA7 P43166 1/20 0.35
CTSK P43235 3/20 0.35
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
SCHEMBL12318662 0.85 TDP1 (0.51) TDP1ALDH1A1TSHRMAPK1GAA
SCHEMBL11989021 0.84 TDP1 (0.55) TDP1GAAMEN1KMT2AMAOA
SCHEMBL18100119 0.84 TDP1 (0.42) TDP1ALDH1A1TSHRMAPK1GAA
SCHEMBL15575825 0.82 TDP1 (0.57) TDP1ALDH1A1TSHRMAPK1GAA
SCHEMBL31672311 0.82 TDP1 (0.62) TDP1ALDH1A1TSHRMAPK1GAA
SCHEMBL887546 0.81 TDP1 (0.65) TDP1TSHRGAAMEN1KMT2A
SCHEMBL7713907 0.81 TDP1 (0.65) TDP1TSHRGAAMEN1KMT2A
SCHEMBL16883899 0.80 TDP1 (0.46) TDP1ALDH1A1TSHRMAPK1GAA
SCHEMBL9138923 0.77 TSHR (0.46) TDP1ALDH1A1TSHRMAPK1GAA
SCHEMBL20000 0.77 TSHR (1.00) TDP1ALDH1A1TSHRMAPK1GAA

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-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

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 TDP1 480/4885ALDH1A1 2147/4885TSHR 4354/4885
US-20160280827-A1 POLYMERS, HYDROGELS, AND USES THEREOF BOLA2; BOLA2B, PARG, BRAP TDP1 480/4885ALDH1A1 2147/4885TSHR 4354/4885

“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.