SCHEMBL16247652

SCHEMBL16247652

CCCCCCCCCCCCCCCCNC(=O)[C@@]1(C)CCc2c(C)c(OC(=O)CCC(=O)O)c(C)c(C)c2O1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.56
TTPA P49638 1/20 0.52
PTPN1 P18031 1/20 0.52
GSTO1 P78417 1/20 0.52
BCHE P06276 10/20 0.44
ACHE P22303 10/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL16247656 0.91 PSEN1 (0.52) PSEN1TTPAPTPN1GSTO1BCHE
SCHEMBL2059270 0.87 TTPA (0.67) PSEN1TTPABCHEACHE
SCHEMBL16207521 0.85 PSEN1 (0.74) PSEN1TTPAPTPN1GSTO1PTGS1
SCHEMBL16207469 0.85 PSEN1 (0.74) PSEN1TTPAPTPN1GSTO1PTGS1
SCHEMBL16207505 0.85 PSEN1 (0.74) PSEN1TTPAPTPN1GSTO1PTGS1
SCHEMBL16207554 0.85 PSEN1 (0.74) PSEN1TTPAPTPN1GSTO1PTGS1
SCHEMBL14950742 0.83 TTPA (0.55) PSEN1TTPAPTPN1GSTO1BCHE
SCHEMBL16247647 0.83 PSEN1 (0.59) PSEN1TTPAPTPN1GSTO1PTGS1
SCHEMBL16247640 0.83 PSEN1 (0.59) PSEN1TTPAPTPN1GSTO1PTGS1
SCHEMBL16247645 0.83 PSEN1 (0.59) PSEN1TTPAPTPN1GSTO1PTGS1

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-9206192-B2 Trolox derivative-modified fat-soluble anti-cancer pharmaceutical compounds, preparations, preparing methods and use thereof Jiangsu Chiatei Tianqing Pharmaceutical Co., LTd (CN) 2015-12-08 US disclosed
US-20140343088-A1 TROLOX DERIVATIVE-MODIFIED FAT-SOLUBLE ANTI-CANCER PHARMACEUTICAL COMPOUNDS, PREPARATIONS, PREPARING METHODS AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2014-11-20 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-20140343088-A1 TROLOX DERIVATIVE-MODIFIED FAT-SOLUBLE ANTI-CANCER PHARMACEUTICAL COMPOUNDS, PREPARATIONS, PREPARING METHODS AND USE THEREOF TTPA, PLIN1, PLIN5 PSEN1 2379/4885TTPA 1/4885PTPN1 3709/4885

“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.