SCHEMBL18123712

SCHEMBL18123712

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
RECQL P46063 2/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 2/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL20089225 0.90 TSHR (0.40) MTNR1AMTNR1BLMNAMAOBHSD17B10
SCHEMBL20089228 0.84 HSD17B10 (0.32) RECQLLMNAMAOBHSD17B10MAPT
Hydrochloric Acid SCHEMBL28666590 0.83 HSD17B10 (0.34) RECQLLMNAHSD17B10MAPTALDH1A1
Hydrochloric Acid SCHEMBL29880690 0.83 SLC7A5 (0.33) RECQLLMNAHSD17B10KMT2APOLB
SCHEMBL18123768 0.83 LTA4H (0.41) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL20089227 0.83 HTR4 (0.33)
Hydrochloric Acid SCHEMBL29880227 0.83 LTA4H (0.40) MAOBKDM4EPDE4APDE4BPDE4C
SCHEMBL18123703 0.80 NCEH1 (0.40) RECQLMAPTKMT2AKDM4EPDE4A
SCHEMBL22788532 0.80 SLC7A5 (0.31)
SCHEMBL18123828 0.78 LMNA (0.39) RECQLLMNAMAOBHSD17B10MAPT

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 8 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
US-20150198885-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD FUJIFILM CORPORATION (JP) 2015-07-16 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 (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 MTNR1A 352/4885MTNR1B 130/4885RECQL 1090/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B MTNR1A 300/4885MTNR1B 131/4885RECQL 2634/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 MTNR1A 352/4885MTNR1B 130/4885RECQL 1090/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 MTNR1A 352/4885MTNR1B 130/4885RECQL 1090/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 MTNR1A 352/4885MTNR1B 130/4885RECQL 1090/4885

“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.