SCHEMBL16247653

SCHEMBL16247653

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
BCHE P06276 15/20 0.58
ACHE P22303 15/20 0.58
PSEN1 P49768 3/20 0.55

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
SCHEMBL9314334 1.00 PTGS1 (0.61) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059199 1.00 PTGS1 (0.61) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15137470 0.95 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9315334 0.91 PTGS1 (0.54) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9314319 0.91 PTGS1 (0.54) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059293 0.91 PTGS1 (0.61) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059279 0.91 PTGS1 (0.61) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059215 0.90 PTGS1 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL16433387 0.90 PTGS1 (0.55) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL16207497 0.90 PTGS1 (0.57) PTGS1PTGS2CYP1A2CYP3A4TSHR

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 PTGS1 215/4885PTGS2 218/4885CYP1A2 674/4885

“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.