SCHEMBL3701495

SCHEMBL3701495

C=CC(=O)N(CC)C(=O)CN

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL5489834 0.82 TSHR (0.43) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL28880735 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL28621034 0.78 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL8743225 0.76 ALDH1A1 (0.39) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL10538170 0.76 ALDH1A1 (0.39) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL3709231 0.74 ALDH1A1 (0.37) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL28895274 0.74 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL28621037 0.73 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL9382306 0.72 TSHR (0.38) ALDH1A1TSHR
SCHEMBL10660530 0.71 ALDH1A1 (0.35) ALDH1A1TSHRZDHHC20ZDHHC2

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-9017726-B2 Biodegradable and thermosensitive poly(organophosphazene)-superparamagnetic nanoparticle complex, preparation method and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-28 US disclosed
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF Korean Institute of Science and Technology of Seoul, Republic of Korea 2012-05-17 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 (1 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-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF PHOSPHO1, HSPA2, FEM1B ALDH1A1 4557/4885TSHR 929/4885ZDHHC20 4565/4885

“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.