SCHEMBL16247643

SCHEMBL16247643

CCCCCCCCOCCCCCCCCC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.58
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
ALOX5 P09917 3/20 0.40
NR1I2 O75469 1/20 0.40
CAPN1 P07384 1/20 0.40
BCHE P06276 5/20 0.40
ACHE P22303 5/20 0.40

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
SCHEMBL16247639 1.00 PSEN1 (0.58) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16247660 0.85 PSEN1 (0.74) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16247661 0.84 PSEN1 (0.63) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16207664 0.84 PSEN1 (0.72) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16207663 0.84 PSEN1 (0.72) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16207574 0.84 PSEN1 (0.72) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16207575 0.84 PSEN1 (0.72) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16207556 0.84 PSEN1 (0.72) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16207528 0.84 PSEN1 (0.72) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16247645 0.83 PSEN1 (0.59) PSEN1PTGS1PTGS2CYP1A2CYP3A4

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 2379/4885PTGS1 215/4885PTGS2 218/4885

“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.