SCHEMBL20063330

SCHEMBL20063330

CC(O)CN(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL4594547 0.78 TSHR (0.33) TSHRTDP1ALDH1A1
SCHEMBL4275338 0.77 PIK3CD (0.39) MAPK1
SCHEMBL8962264 0.76 TSHR (0.43) TSHR
SCHEMBL4235510 0.74 MAPK1 (0.36) MAPK1TSHRTDP1ALDH1A1
SCHEMBL925732 0.74 MAPK1 (0.36) MAPK1TSHRTDP1ALDH1A1
SCHEMBL23419900 0.74 TSHR (0.35) TSHRTDP1
SCHEMBL14492467 0.74 LMNA (0.38) TDP1ALDH1A1
SCHEMBL26955508 0.74 TSHR (0.36) TSHR
SCHEMBL18354297 0.72 ALDH1A1 (0.33) MAPK1TSHRALDH1A1
SCHEMBL18135504 0.72

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 MAPK1 2398/4885TSHR 933/4885TDP1 2523/4885

“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.