SCHEMBL18123783

SCHEMBL18123783

CC(=O)c1cc2c(OC(=O)OC(C)(C)C)c3ccccc3c(O)c2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 3/20 0.37
POLB P06746 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
ALOX12 P18054 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
STAT3 P40763 3/20 0.35
HTT P42858 3/20 0.34
NSD2 O96028 1/20 0.34
MCL1 Q07820 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL18123781 0.91 LMNA (0.37) MAPTKMT2AKDM4EHSD17B10GAA
SCHEMBL18123699 0.91 MAPT (0.37) MAPTKMT2AKDM4EHSD17B10GAA
SCHEMBL18123776 0.81 LMNA (0.33) MAPTKMT2AKDM4EHSD17B10GAA
SCHEMBL18123592 0.80 KDM4E (0.38) MAPTKMT2AKDM4EHSD17B10GAA
SCHEMBL18123782 0.79 CYP3A4 (0.39) MAPTKDM4EGAAALDH1A1BCHE
SCHEMBL18123704 0.79 CYP3A4 (0.39) MAPTKDM4EGAAALDH1A1BCHE
SCHEMBL14656256 0.77 KDM4E (0.50) MAPTKMT2AKDM4EHSD17B10GAA
SCHEMBL12494851 0.76 LMNA (0.39) MAPTKMT2AKDM4EHSD17B10GAA
SCHEMBL18123828 0.76 LMNA (0.39) MAPTKMT2AKDM4EHSD17B10GAA
SCHEMBL12526833 0.76 KDM4E (0.39) MAPTKMT2AKDM4EHSD17B10GAA

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-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2020-12-17 US disclosed
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 US disclosed
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2019-03-21 US disclosed
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2019-01-22 US disclosed
US-20180111914-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2018-04-26 US disclosed
US-20180111914-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2018-04-26 US disclosed
WO-2016157052-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2016-10-06 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 (5 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-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 MAPT 4840/4885KMT2A 2184/4885KDM4E 3479/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B MAPT 4595/4885KMT2A 1776/4885KDM4E 3369/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 MAPT 4840/4885KMT2A 2184/4885KDM4E 3479/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 MAPT 4840/4885KMT2A 2184/4885KDM4E 3479/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 MAPT 4840/4885KMT2A 2184/4885KDM4E 3479/4885

“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.