SCHEMBL20095052

SCHEMBL20095052

CCCNCCNC(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
PAOX Q6QHF9 1/20 0.47
ACHE P22303 10/20 0.42
BCHE P06276 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
ANPEP P15144 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
SCHEMBL20095029 0.87 EPHX1 (0.64) EPHX1PAOXACHE
SCHEMBL14872684 0.87 EPHX1 (0.64) EPHX1PAOXACHE
SCHEMBL515070 0.85
SCHEMBL10243672 0.84 EPHX1 (0.54) EPHX1ACHEMEN1KMT2A
SCHEMBL25554871 0.84 EPHX1 (0.78) EPHX1ACHE
Hydrochloric Acid SCHEMBL22345320 0.83
SCHEMBL27685126 0.83
SCHEMBL15202852 0.83 ACHE (0.48) PAOXACHECHRNB2CHRNB4CHRNA3
SCHEMBL3190326 0.83 EPHX1 (0.61) EPHX1ACHEMEN1KMT2A
SCHEMBL28007905 0.80 EPHX1 (0.50) EPHX1PAOXACHEMEN1KMT2A

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 5 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

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 EPHX1 2403/4885PAOX 2160/4885ACHE 2839/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B EPHX1 2218/4885PAOX 2767/4885ACHE 2777/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 EPHX1 2403/4885PAOX 2160/4885ACHE 2839/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 EPHX1 2403/4885PAOX 2160/4885ACHE 2839/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 EPHX1 2403/4885PAOX 2160/4885ACHE 2839/4885

“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.