SCHEMBL10042965

SCHEMBL10042965

CCCCOC(=O)C(C)(C)NC(=O)CNC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.39
ATM Q13315 2/20 0.38
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ACHE P22303 7/20 0.34
HCAR2 Q8TDS4 1/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NAAA Q02083 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4763694 0.79 ALDH1A1 (0.48) ALDH1A1EPHX1ATMTSHRHPGD
SCHEMBL10042967 0.77 DGAT1 (0.34) NPSR1
SCHEMBL18154488 0.76 ALDH1A1 (0.45) ALDH1A1EPHX1ATMTSHRHPGD
SCHEMBL10042966 0.75 GAA (0.47) ALDH1A1EPHX1ATMTSHRHPGD
SCHEMBL14007854 0.74 TSHR (0.51) ALDH1A1EPHX1ATMTSHRHPGD
SCHEMBL15799852 0.73 EPHX1 (0.56) ALDH1A1EPHX1TSHRACHEHCAR2
SCHEMBL19014683 0.73 EPHX1 (0.56) ALDH1A1EPHX1TSHRACHEHCAR2
SCHEMBL6962666 0.72 ALDH1A1 (0.48) ALDH1A1EPHX1ATMTSHRHPGD
Hydrochloric Acid SCHEMBL15796615 0.71 EPHX1 (0.55) ALDH1A1EPHX1TSHRACHEHCAR2
SCHEMBL15095354 0.71 DGAT1 (0.31)

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-8481496-B2 Gold (III) complexes with oligopeptides functionalized with sulfur donors and use thereof as antitumor agents UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2013-07-09 US disclosed
US-20120101044-A1 GOLD (III) COMPLEXES WITH OLIGOPEPTIDES FUNCTIONALIZED WITH SULFUR DONORS AND USE THEREOF AS ANTITUMOR AGENTS UNIVERSITA' DEGLI STUDI DI PADOVA 2012-04-26 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-20120101044-A1 GOLD (III) COMPLEXES WITH OLIGOPEPTIDES FUNCTIONALIZED WITH SULFUR DONORS AND USE THEREOF AS ANTITUMOR AGENTS UACA, UBXN4, PDIA3 ALDH1A1 3991/4885EPHX1 4636/4885ATM 4387/4885

“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.