SCHEMBL682197

SCHEMBL682197

COc1ccc2c(c1OC)CO[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 0.73
TUBB P07437 7/20 0.73
TUBB4B P68371 7/20 0.73
TUBB3 Q13509 7/20 0.73
TUBB2A Q13885 7/20 0.73
TUBB8 Q3ZCM7 7/20 0.73
TUBB6 Q9BUF5 7/20 0.73
TUBB2B Q9BVA1 7/20 0.73
TUBB1 Q9H4B7 7/20 0.73
TUBA3C P0DPH7 5/20 0.73
TUBA1B P68363 5/20 0.73
TUBA4A P68366 5/20 0.73
TUBA3E Q6PEY2 5/20 0.73
TUBA1A Q71U36 5/20 0.73
TUBA1C Q9BQE3 5/20 0.73
CYP3A4 P08684 4/20 0.50
TUBB8B A6NNZ2 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
ABCB11 O95342 1/20 0.50

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
SCHEMBL14386810 1.00 TUBB4A (0.73) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL29748655 1.00 TUBB4A (0.73) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL10083619 0.89 TUBB4A (0.59) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL676698 0.84 TUBB4A (1.00) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL676699 0.84 TUBB4A (1.00) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL12635400 0.84 TUBB4A (1.00) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL29584050 0.84 TUBB4A (1.00) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL10073424 0.83 TUBB4A (0.55) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL23418632 0.82 CYP3A4 (0.70) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL676906 0.75 TUBB4A (0.83) TUBB4ATUBBTUBB4BTUBB3TUBB2A

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-8841317-B2 Noscapine and analogs and methods related thereto EMORY UNIVERSITY (US) 2014-09-23 US disclosed
US-8841317-B2 Noscapine and analogs and methods related thereto EMORY UNIVERSITY (US) 2014-09-23 US disclosed
US-20120053199-A1 NOSCAPINE AND ANALOGS AND METHODS RELATED THERETO GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-03-01 US disclosed
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition EMORY UNIVERSITY (US) 2011-11-10 US disclosed
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition EMORY UNIVERSITY (US) 2011-11-10 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 (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-20120053199-A1 NOSCAPINE AND ANALOGS AND METHODS RELATED THERETO NOS2, NOS1, NOS3 TUBB4A 3007/4885TUBB 3641/4885TUBB4B 3401/4885
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition NOS1, NOS2, TBCA TUBB4A 13/4885TUBB 8/4885TUBB4B 22/4885

“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.