SCHEMBL8176235

SCHEMBL8176235

COc1cccc(ON)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
ALDH1A1 P00352 2/20 0.60
ACHE P22303 1/20 0.56
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
TAAR1 Q96RJ0 4/20 0.50
PARP1 P09874 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
MAOB P27338 1/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48

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
1,3-Dimethoxybenzene SCHEMBL27449844 0.87 ALDH1A1 (0.68) CYP3A4ALDH1A1ACHEIDO1AGXT
1,3-Dimethoxybenzene SCHEMBL9350 0.87 ACHE (0.70) CYP3A4ALDH1A1ACHEIDO1AGXT
SCHEMBL16640500 0.87 MEN1 (0.46) CYP3A4ALDH1A1ACHEIDO1AGXT
1,3-Dimethoxybenzene SCHEMBL901285 0.87 ACHE (0.70) CYP3A4ALDH1A1ACHEIDO1AGXT
1,3-Dimethoxybenzene SCHEMBL27464793 0.84 ALDH1A1 (0.65) CYP3A4ALDH1A1ACHEIDO1AGXT
1,3-Dimethoxybenzene SCHEMBL28542304 0.84 ACHE (0.67) CYP3A4ALDH1A1ACHEIDO1AGXT
1,3-Dimethoxybenzene SCHEMBL7860661 0.84 ACHE (0.67) CYP3A4ALDH1A1ACHEIDO1AGXT
1,3-Dimethoxybenzene SCHEMBL15870025 0.84 ACHE (0.67) CYP3A4ALDH1A1ACHEIDO1AGXT
1,3-Dimethoxybenzene SCHEMBL28343465 0.84 ACHE (0.67) CYP3A4ALDH1A1ACHEIDO1AGXT
1,3-Dimethoxybenzene SCHEMBL27850020 0.84 ACHE (0.67) CYP3A4ALDH1A1ACHEIDO1AGXT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051346-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2025-02-13 US disclosed
WO-2023114858-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2023114858-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 EP disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 US disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 US disclosed
WO-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 WO disclosed
EP-0433451-A1 OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1991-06-26 EP disclosed
WO-1990001874-A1 OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1990-03-08 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 (2 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-20250051346-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF GAP43, BDNF, DBH CYP3A4 3221/4885ALDH1A1 820/4885ACHE 417/4885
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 1594/4885ALDH1A1 2078/4885ACHE 4025/4885

“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.