SCHEMBL12281794

SCHEMBL12281794

COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.73
▸ MEN1 O00255 10/20 0.73
▸ NPC1 O15118 6/20 0.73
▸ RAB9A P51151 5/20 0.73
▸ POLB P06746 2/20 0.73
▸ OPRK1 P41145 1/20 0.73
▸ LMNA P02545 4/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ HPGD P15428 3/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ TP53 P04637 1/20 0.67
▸ PIM1 P11309 2/20 0.64
▸ APP P05067 5/20 0.62
▸ MAPT P10636 5/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ GLA P06280 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ AGTR1 P30556 3/20 0.57
▸ TLR9 Q9NR96 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.53

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 0.89 KMT2A (0.66) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3859264 0.88 KMT2A (0.70) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL12280972 0.85 MEN1 (1.00) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL12280671 0.80 KMT2A (0.64) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL14259671 0.78 PIM1 (1.00) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL31654069 0.78 PIM1 (1.00) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL15078624 0.77 KMT2A (0.65) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL18270515 0.77 NFKB1 (0.71) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL10036065 0.77 GLA (0.78) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL11062170 0.77 GLA (0.78) KMT2AMEN1NPC1RAB9APOLB

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 391/4885NPC1 1073/4885
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF KMT2A 3928/4885MEN1 391/4885NPC1 1073/4885

“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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