SCHEMBL12694947

SCHEMBL12694947

COc1cc(/C=C2/C(=O)Oc3ccccc32)cc(CO)c1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.52
▸ TOP2A P11388 1/20 0.52
▸ STK17B O94768 4/20 0.49
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 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
SCHEMBL12696418 0.80 MAPT (0.68) TOP1TOP2ASTK17BHDAC3HDAC4
SCHEMBL12694954 0.74 STK17B (0.69) STK17BHDAC3HDAC4HDAC1HDAC7
SCHEMBL4261090 0.73 TOP1 (0.75) TOP1TOP2ASTK17BHDAC3HDAC4
SCHEMBL4261091 0.73 TOP1 (0.75) TOP1TOP2ASTK17BHDAC3HDAC4
SCHEMBL13643390 0.71 TUBB1 (0.57) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL30429737 0.71 ACHE (0.68) TOP1TOP2AALDH1A1MAPTKMT2A
SCHEMBL4261109 0.71 HDAC3 (0.52) TOP1TOP2ASTK17BHDAC3HDAC4
SCHEMBL4261116 0.71 HDAC3 (0.52) TOP1TOP2ASTK17BHDAC3HDAC4
SCHEMBL4262064 0.70 TOP1 (0.54) TOP1TOP2ASTK17BHDAC3HDAC4
SCHEMBL4262061 0.70 TOP1 (0.54) TOP1TOP2ASTK17BHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567305-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2017-02-14 — — US disclosed
US-20140135494-A1 Quinoxaline Compounds and Derivatives SOUTHERN METHODIST UNIVERSITY (US) 2014-05-15 — — US disclosed
US-8669363-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2014-03-11 — — US disclosed
US-20120245352-A1 Quinoxaline Compounds and Derivatives SOUTHERN METHODIST UNIVERSITY (US) 2012-09-27 — — 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-20140135494-A1 Quinoxaline Compounds and Derivatives CYP3A5, PDXK, QDPR TOP1 63/4885TOP2A 55/4885STK17B 1252/4885
US-20120245352-A1 Quinoxaline Compounds and Derivatives CYP3A5, PDXK, QDPR TOP1 63/4885TOP2A 55/4885STK17B 1252/4885

“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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