SCHEMBL20009264

SCHEMBL20009264

CC(C)(C)C(=O)CC12CC3CC(C1)CC(C(=O)OCCS(=O)(=O)O)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 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
SCHEMBL20008913 0.82 NPSR1 (0.57) NPSR1ALDH1A1GAAMEN1KMT2A
SCHEMBL12376770 0.80 NPSR1 (0.43) NPSR1ALDH1A1THRBMEN1KMT2A
SCHEMBL18775993 0.79 NPSR1 (0.44) NPSR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10172880 0.77 ALDH1A1 (0.53) NPSR1ALDH1A1GAAL3MBTL1POLB
SCHEMBL98471 0.77 ALDH1A1 (0.47) NPSR1ALDH1A1GAAMEN1KMT2A
SCHEMBL16722815 0.75 GAA (0.58) ALDH1A1THRBGAAMEN1KMT2A
SCHEMBL18775888 0.75 NPSR1 (0.47) NPSR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10447425 0.74 NPSR1 (0.42) NPSR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL12409643 0.74 NPSR1 (0.43) NPSR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21281793 0.72 NPSR1 (0.40) NPSR1ALDH1A1MEN1KMT2AL3MBTL1

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-20180086948-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING A BIO-ELECTRODE, AND SALT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 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 (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-20180086948-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING A BIO-ELECTRODE, AND SALT SLC9A1, FN1, EPCAM NPSR1 1435/4885ALDH1A1 749/4885THRB 1453/4885

“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.