SCHEMBL20095029

SCHEMBL20095029

CCCCNCCNC(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.64
▸ ACHE P22303 14/20 0.53
▸ PAOX Q6QHF9 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL14872684 1.00 EPHX1 (0.64) EPHX1ACHEPAOXALDH1A1TSHR
SCHEMBL25554871 0.92 EPHX1 (0.78) EPHX1ACHEALDH1A1TSHR
SCHEMBL20095052 0.87 EPHX1 (0.57) EPHX1ACHEPAOX
SCHEMBL514302 0.87 — —
Ammonia Solution, Strong SCHEMBL28983308 0.85 EPHX1 (0.79) EPHX1ACHE
SCHEMBL5024419 0.81 MAOA (0.55) EPHX1ACHETSHR
SCHEMBL28007905 0.81 EPHX1 (0.50) EPHX1ACHEPAOXALDH1A1
SCHEMBL10243672 0.80 EPHX1 (0.54) EPHX1ACHETSHR
SCHEMBL443246 0.80 EPHX1 (0.95) EPHX1ACHE
Carbamic Acid SCHEMBL27650019 0.79 EPHX1 (0.70) EPHX1ACHE

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

“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.

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