SCHEMBL12696418

SCHEMBL12696418

COc1cc(/C=C2/C(=O)Oc3ccccc32)cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.68
▸ ALDH1A1 P00352 6/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ CRHBP P24387 1/20 0.68
▸ CRHR2 Q13324 1/20 0.68
▸ MAOB P27338 1/20 0.60
▸ TOP1 P11387 1/20 0.58
▸ TOP2A P11388 1/20 0.58
▸ F2 P00734 1/20 0.55
▸ STK17B O94768 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL12696424 0.82 STK17B (0.79) MAPTALDH1A1MEN1KMT2ACRHBP
SCHEMBL29601681 0.81 MAPT (0.82) MAPTALDH1A1MEN1KMT2ACRHBP
SCHEMBL12694947 0.80 TOP1 (0.52) MAPTALDH1A1MEN1KMT2ACRHBP
SCHEMBL30429737 0.78 ACHE (0.68) MAPTALDH1A1MEN1KMT2AMAOB
SCHEMBL4261090 0.78 TOP1 (0.75) ALDH1A1MEN1KMT2ATOP1TOP2A
SCHEMBL4261091 0.78 TOP1 (0.75) ALDH1A1MEN1KMT2ATOP1TOP2A
SCHEMBL4261116 0.76 HDAC3 (0.52) MAPTALDH1A1MEN1KMT2ATOP1
SCHEMBL4261109 0.76 HDAC3 (0.52) MAPTALDH1A1MEN1KMT2ATOP1
SCHEMBL1078524 0.75 TOP1 (0.66) ALDH1A1MEN1KMT2AMAOBTOP1
SCHEMBL4262064 0.75 TOP1 (0.54) MAPTALDH1A1MEN1KMT2ACRHBP

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 MAPT 2893/4885ALDH1A1 1107/4885MEN1 1575/4885
US-20120245352-A1 Quinoxaline Compounds and Derivatives CYP3A5, PDXK, QDPR MAPT 2893/4885ALDH1A1 1107/4885MEN1 1575/4885

“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.

Send feedback