SCHEMBL12280671

SCHEMBL12280671

COc1cc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)ccc1OC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.64
▸ MEN1 O00255 8/20 0.64
▸ MAPT P10636 8/20 0.64
▸ LMNA P02545 6/20 0.64
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ HTT P42858 3/20 0.64
▸ ALDH1A1 P00352 6/20 0.56
▸ HPGD P15428 6/20 0.56
▸ TP53 P04637 1/20 0.56
▸ POLB P06746 3/20 0.54
▸ KDM4E B2RXH2 5/20 0.51
▸ GLA P06280 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ APP P05067 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL12280667 0.88 KMT2A (0.66) KMT2AMEN1MAPTLMNANPC1
SCHEMBL14681469 0.84 MEN1 (0.69) KMT2AMEN1MAPTLMNANPC1
SCHEMBL486872 0.83 MAPT (0.66) KMT2AMEN1MAPTLMNANPC1
SCHEMBL486870 0.83 MAPT (0.66) KMT2AMEN1MAPTLMNANPC1
SCHEMBL3859264 0.83 KMT2A (0.70) KMT2AMEN1MAPTLMNANPC1
SCHEMBL12281983 0.82 KMT2A (0.54) KMT2AMEN1MAPTLMNANPC1
SCHEMBL12281794 0.80 KMT2A (0.73) KMT2AMEN1MAPTLMNANPC1
SCHEMBL27864630 0.78 KDM4E (0.60) KMT2AMEN1MAPTLMNANPC1
SCHEMBL4710988 0.77 JUN (0.59) KMT2AMEN1MAPTLMNANPC1
SCHEMBL4710987 0.77 JUN (0.59) KMT2AMEN1MAPTLMNANPC1

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
US-20130225610-A1 ANTIMETASTATIC COMPOUNDS HANSEN MARC (US) 2013-08-29 — — US disclosed
US-20130225610-A1 ANTIMETASTATIC COMPOUNDS HANSEN MARC (US) 2013-08-29 — — US disclosed
US-8481553-B2 Antimetastatic compounds BRIGHAM YOUNG UNIVERSITY (US) 2013-07-09 — — US disclosed
US-8481553-B2 Antimetastatic compounds BRIGHAM YOUNG UNIVERSITY (US) 2013-07-09 — — US disclosed
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-02-07 — — US disclosed
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-02-07 — — US disclosed
WO-2011127192-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2011-10-13 — — WO 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-20130225610-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF KMT2A 3928/4885MEN1 391/4885MAPT 4206/4885
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF KMT2A 3928/4885MEN1 391/4885MAPT 4206/4885

“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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