SCHEMBL18123782

SCHEMBL18123782

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38
IDO1 P14902 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
BCHE P06276 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
MAPT P10636 4/20 0.35
BRD4 O60885 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL18123704 1.00 CYP3A4 (0.39) CYP3A4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL18123778 0.96 CYP3A4 (0.41) CYP3A4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL18123769 0.89 CA1 (0.40) CYP3A4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL18123781 0.87 LMNA (0.37) MAPTKDM4EALDH1A1GAA
SCHEMBL18867274 0.84 HPGD (0.43) IDO1CNR2BCHEMAPTKDM4E
SCHEMBL22772347 0.83 KDM4E (0.33) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL29879826 0.83 IDO1 (0.36) CYP3A4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL18123824 0.83 IDO1 (0.36) CYP3A4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL18123703 0.83 NCEH1 (0.40) NCEH1MAPTBRD4KDM4E
SCHEMBL20095025 0.82 ALDH1A1 (0.37) CYP3A4CYP1A1CYP2D6CYP2B6CYP2C19

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 CYP3A4 348/4885CYP1A1 31/4885CYP2D6 280/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B CYP3A4 222/4885CYP1A1 43/4885CYP2D6 202/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 CYP3A4 348/4885CYP1A1 31/4885CYP2D6 280/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 CYP3A4 348/4885CYP1A1 31/4885CYP2D6 280/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 CYP3A4 348/4885CYP1A1 31/4885CYP2D6 280/4885

“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.