SCHEMBL17304593

SCHEMBL17304593

COc1cc2c(c(OC)c1OC)CC[C@H](NC(C)=O)c1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
KDM4E B2RXH2 3/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
PAX8 Q06710 1/20 0.54
TUBB1 Q9H4B7 5/20 0.53
CYP2C9 P11712 3/20 0.53
KMT2A Q03164 3/20 0.53
TUBB4A P04350 3/20 0.53
TUBB P07437 3/20 0.53
TUBA3C P0DPH7 3/20 0.53
TUBA1B P68363 3/20 0.53
TUBA4A P68366 3/20 0.53
TUBB4B P68371 3/20 0.53
TUBB3 Q13509 3/20 0.53
TUBB2A Q13885 3/20 0.53
TUBB8 Q3ZCM7 3/20 0.53
TUBA3E Q6PEY2 3/20 0.53
TUBA1A Q71U36 3/20 0.53
TUBA1C Q9BQE3 3/20 0.53

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
SCHEMBL18533005 0.91 TUBB1 (0.55) LMNAKDM4EPOLBMAPTPAX8
SCHEMBL17320123 0.89 TUBB1 (0.49) LMNAKDM4EPOLBMAPTPAX8
SCHEMBL17304592 0.87 PAX8 (0.53) LMNAKDM4EPOLBMAPTPAX8
SCHEMBL17304591 0.87 PAX8 (0.58) LMNAKDM4EPOLBMAPTPAX8
SCHEMBL17304604 0.86 PAX8 (0.59) LMNAKDM4EPOLBMAPTPAX8
SCHEMBL17320124 0.85 PAX8 (0.52) LMNAKDM4EPOLBMAPTPAX8
SCHEMBL18532941 0.85 TUBB1 (0.57) LMNAKDM4EPAX8TUBB1CYP2C9
SCHEMBL17320122 0.84 PAX8 (0.55) LMNAKDM4EPAX8TUBB1CYP2C9
SCHEMBL17304595 0.83 PAX8 (0.54) LMNAKDM4EPOLBMAPTPAX8
SCHEMBL18532915 0.83 PAX8 (0.52) LMNAKDM4EPOLBMAPTPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150344411-A1 Catalytic Method for Dibenzocycloheptane Synthesis and Allocolchicinoid Synthesis RNASE1, PNLIP, AMY2A LMNA 784/4885KDM4E 910/4885POLB 1641/4885

“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.