SCHEMBL16247635

SCHEMBL16247635

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
GSTO1 P78417 1/20 0.48
TTPA P49638 2/20 0.48
ALOX5 P09917 1/20 0.47
PSEN1 P49768 11/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4A P27815 1/20 0.42
PDE3A Q14432 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
SCHEMBL14948992 0.91 PSEN1 (0.56) PTPN1GSTO1TTPAALOX5PSEN1
SCHEMBL14948984 0.91 PSEN1 (0.56) PTPN1GSTO1TTPAALOX5PSEN1
SCHEMBL16247634 0.89 PTPN1 (0.58) PTPN1GSTO1TTPAALOX5PSEN1
SCHEMBL16247646 0.82 PSEN1 (0.56) PTPN1GSTO1TTPAALOX5PSEN1
SCHEMBL16247641 0.82 PSEN1 (0.56) PTPN1GSTO1TTPAALOX5PSEN1
SCHEMBL14950745 0.82 TTPA (0.54) PTPN1GSTO1TTPAALOX5PSEN1
SCHEMBL16247656 0.82 PSEN1 (0.52) PTPN1GSTO1TTPAPSEN1
SCHEMBL14948991 0.81 PTPN1 (0.59) PTPN1GSTO1TTPAALOX5PSEN1
SCHEMBL14948986 0.81 PTPN1 (0.59) PTPN1GSTO1TTPAALOX5PSEN1
SCHEMBL14950826 0.79 PTPN1 (0.57) PTPN1GSTO1TTPAALOX5PSEN1

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 PTPN1 3709/4885GSTO1 59/4885TTPA 1/4885

“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.