SCHEMBL789469

SCHEMBL789469

[CH2]c1ccccc1OCOCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 8/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LTA4H P09960 1/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.35
NQO1 P15559 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
RELA Q04206 1/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8751778 0.85 L3MBTL1 (0.47) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL93705 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL9798227 0.83 KDM4E (0.36) ALDH1A1L3MBTL1CYP1A2CYP2C19TDP1
SCHEMBL27641064 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL8341638 0.81 L3MBTL1 (0.49) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL7329822 0.79 CA1 (0.39) ALDH1A1L3MBTL1CYP1A2TDP1LMNA
SCHEMBL21546356 0.78 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL6672651 0.77 TSHR (0.50) L3MBTL1CYP1A2CYP2C19TDP1LTA4H
SCHEMBL8340540 0.77 LMNA (0.40) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL23907055 0.76 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US disclosed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US disclosed
US-20130267680-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF STICHTING HET NEDERLANDS KANKERINSTITUUT 2013-10-10 US disclosed
EP-2616479-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF Stichting Het Nederlands Kanker Instituut (NL) 2013-07-24 EP disclosed
WO-2012036551-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF STICHTING HET NEDERLANDS KANKERINSTITUUT (NL) 2012-03-22 WO 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 (2 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-20130267680-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF UBQLN1, UBQLN2, UBE3A ALDH1A1 2827/4885L3MBTL1 610/4885CYP1A2 2784/4885
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 ALDH1A1 2399/4885L3MBTL1 46/4885CYP1A2 1994/4885

“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.