SCHEMBL15664739

SCHEMBL15664739

COc1ccc(-c2ocnc2-c2cc(OC)c(O)c(OC)c2)cc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ TUBB1 Q9H4B7 6/20 0.45
▸ TUBB4A P04350 5/20 0.45
▸ TUBB P07437 5/20 0.45
▸ TUBA3C P0DPH7 5/20 0.45
▸ TUBA1B P68363 5/20 0.45
▸ TUBA4A P68366 5/20 0.45
▸ TUBB4B P68371 5/20 0.45
▸ TUBB3 Q13509 5/20 0.45
▸ TUBB2A Q13885 5/20 0.45
▸ TUBB8 Q3ZCM7 5/20 0.45
▸ TUBA3E Q6PEY2 5/20 0.45
▸ TUBA1A Q71U36 5/20 0.45
▸ TUBA1C Q9BQE3 5/20 0.45
▸ TUBB6 Q9BUF5 5/20 0.45
▸ TUBB2B Q9BVA1 5/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL23405224 0.91 TUBB4A (0.55) HDAC1HDAC6TUBB1TUBB4ATUBB
SCHEMBL15665587 0.90 HDAC1 (0.48) HDAC1HDAC6TUBB1TUBB4ATUBB
SCHEMBL15664653 0.90 HDAC1 (0.50) HDAC1HDAC6TUBB1TUBB4ATUBB
SCHEMBL15664738 0.88 DPP4 (0.46) HDAC1HDAC6TUBB1TUBB4ATUBB
SCHEMBL15664452 0.87 HDAC1 (0.45) HDAC1HDAC6TUBB1TUBB4ATUBB
SCHEMBL15665220 0.87 GSK3B (0.48) HDAC1HDAC6TUBB1TUBB4ATUBB
SCHEMBL15665015 0.84 HDAC1 (0.44) HDAC1HDAC6TUBB1TUBB4ATUBB
Phosphoric Acid SCHEMBL15665039 0.83 DPP4 (0.45) HDAC1HDAC6TUBB1TUBB4ATUBB
Phosphoric Acid SCHEMBL15664718 0.80 DPP4 (0.43) HDAC1HDAC6TUBB1TUBB4ATUBB
SCHEMBL28807093 0.78 HDAC1 (0.48) HDAC1HDAC6TUBB1TUBB4ATUBB

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
CN-103889964-A Tumor targeting drug Combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO LTD 2014-06-25 — — CN claimed
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 — — US claimed
CN-105753787-B Tumor-targeting drug Combretastatin A4 derivatives 南京圣和药业股份有限公司 2018-05-15 — — CN disclosed
EP-2730565-B1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2017-04-26 — — EP disclosed
US-9139574-B2 Tumor targeted drug combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-22 — — US disclosed
EP-2730565-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2014-05-14 — — EP disclosed
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 — — 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-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE TUBA4A, TUBGCP4, TUBB4A HDAC1 171/4885HDAC6 13/4885TUBB1 26/4885

“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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