SCHEMBL17288342

SCHEMBL17288342

COc1ccc2c(c1)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.81
TUBB1 Q9H4B7 5/20 0.79
LMNA P02545 3/20 0.79
CYP2C9 P11712 3/20 0.79
KMT2A Q03164 3/20 0.79
TUBB4A P04350 3/20 0.79
TUBB P07437 3/20 0.79
TUBA3C P0DPH7 3/20 0.79
TUBA1B P68363 3/20 0.79
TUBA4A P68366 3/20 0.79
TUBB4B P68371 3/20 0.79
TUBB3 Q13509 3/20 0.79
TUBB2A Q13885 3/20 0.79
TUBB8 Q3ZCM7 3/20 0.79
TUBA3E Q6PEY2 3/20 0.79
TUBA1A Q71U36 3/20 0.79
TUBA1C Q9BQE3 3/20 0.79
TUBB6 Q9BUF5 3/20 0.79
TUBB2B Q9BVA1 3/20 0.79
MITF O75030 3/20 0.79

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
SCHEMBL5839934 0.93 PAX8 (0.76) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL6286224 0.92 PAX8 (0.68) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL17304633 0.91 PAX8 (0.74) PAX8TUBB1LMNACYP2C9KMT2A
Zd-6126 SCHEMBL1285000 0.90 PAX8 (0.72) PAX8TUBB1LMNACYP2C9KMT2A
Zd-6126 SCHEMBL29350670 0.90 PAX8 (0.72) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL5840916 0.90 PAX8 (0.72) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL5840758 0.90 PAX8 (0.72) PAX8TUBB1LMNACYP2C9KMT2A
N-Acetylcolchinol SCHEMBL5441104 0.89 PAX8 (1.00) PAX8TUBB1LMNACYP2C9KMT2A
N-Acetylcolchinol SCHEMBL5441108 0.89 PAX8 (1.00) PAX8TUBB1LMNACYP2C9KMT2A
N-Acetylcolchinol SCHEMBL30076644 0.89 PAX8 (1.00) PAX8TUBB1LMNACYP2C9KMT2A

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-11834400-B2 Method for synthesizing dibenzocycloheptane derivatives by series cyclization of free radicals under electrooxidation conditions ZHEJIANG NORMAL UNIVERSITY (CN) 2023-12-05 US disclosed
US-20230234907-A1 METHOD FOR SYNTHESIZING DIBENZOCYCLOHEPTANE DERIVATIVES BY SERIES CYCLIZATION OF FREE RADICALS UNDER ELECTROOXIDATION CONDITIONS ZHEJIANG NORMAL UNIVERSITY (CN) 2023-07-27 US disclosed
US-9573873-B2 Catalytic method for dibenzocycloheptane synthesis and allocolchicinoid synthesis UNIVERSITY OF WINDSOR (CA) 2017-02-21 US disclosed
US-9573873-B2 Catalytic method for dibenzocycloheptane synthesis and allocolchicinoid synthesis UNIVERSITY OF WINDSOR (CA) 2017-02-21 US disclosed
EP-2952501-A2 Anti-cancer dibenzocycloheptane derivatives and a catalytic method for dibenzocycloheptane synthesis and allocolchicinoid synthesis University of Windsor (CA) 2015-12-09 EP disclosed
US-20150344411-A1 Catalytic Method for Dibenzocycloheptane Synthesis and Allocolchicinoid Synthesis UNIVERSITY OF WINDSOR (CA) 2015-12-03 US disclosed
US-20150344411-A1 Catalytic Method for Dibenzocycloheptane Synthesis and Allocolchicinoid Synthesis UNIVERSITY OF WINDSOR (CA) 2015-12-03 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 (3 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-11834400-B2 Method for synthesizing dibenzocycloheptane derivatives by series cyclization of free radicals under electrooxidation conditions POR, CYP2E1, AKR7A2 PAX8 4853/4885TUBB1 3280/4885LMNA 1401/4885
US-20150344411-A1 Catalytic Method for Dibenzocycloheptane Synthesis and Allocolchicinoid Synthesis RNASE1, PNLIP, AMY2A PAX8 3318/4885TUBB1 3225/4885LMNA 784/4885
US-20230234907-A1 METHOD FOR SYNTHESIZING DIBENZOCYCLOHEPTANE DERIVATIVES BY SERIES CYCLIZATION OF FREE RADICALS UNDER ELECTROOXIDATION CONDITIONS POR, CYP2E1, CYP2A7 PAX8 4860/4885TUBB1 2865/4885LMNA 1195/4885

“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.